PubChemLite - Phenyl dimethyl,-l-glutamyl aztmp derative (C23H29N6O10P)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CCC(=O)OC)C(=O)OC)OC3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C23H29N6O10P/c1-14-12-29(23(33)25-21(14)31)19-11-17(26-28-24)18(38-19)13-37-40(34,39-15-7-5-4-6-8-15)27-16(22(32)36-3)9-10-20(30)35-2/h4-8,12,16-19H,9-11,13H2,1-3H3,(H,27,34)(H,25,31,33)/t16-,17-,18+,19+,40?/m0/s1

InChIKey

FUOBDAHRUFOANS-CAUDLSBESA-N

Compound name

dimethyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]pentanedioate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	581.17558	223.0
[M+Na]+	603.15752	221.8
[M-H]-	579.16102	230.9
[M+NH4]+	598.20212	237.6
[M+K]+	619.13146	219.0
[M+H-H2O]+	563.16556	213.5
[M+HCOO]-	625.16650	248.3
[M+CH3COO]-	639.18215	255.0
[M+Na-2H]-	601.14297	226.9
[M]+	580.16775	226.2
[M]-	580.16885	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.17558

223.0

[M+Na]+

603.15752

221.8

[M-H]-

579.16102

230.9

[M+NH4]+

598.20212

237.6

[M+K]+

619.13146

219.0

[M+H-H2O]+

563.16556

213.5

[M+HCOO]-

625.16650

248.3

[M+CH3COO]-

639.18215

255.0

[M+Na-2H]-

601.14297

226.9

[M]+

580.16775

226.2

[M]-

580.16885

226.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Phenyl dimethyl,-l-glutamyl aztmp derative

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe