PubChemLite - 10-hydroxy-cpt-gly (C22H19N3O6)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)OC(=O)CN

InChI

InChI=1S/C22H19N3O6/c1-2-22(31-18(27)8-23)15-7-17-19-12(5-11-6-13(26)3-4-16(11)24-19)9-25(17)20(28)14(15)10-30-21(22)29/h3-7,26H,2,8-10,23H2,1H3/t22-/m0/s1

InChIKey

WRUNRZWFHRZVFQ-QFIPXVFZSA-N

Compound name

[(19S)-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-19-yl] 2-aminoacetate

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]+	422.13466	196.6
[M+Na]+	444.11660	206.5
[M-H]-	420.12010	200.6
[M+NH4]+	439.16120	209.2
[M+K]+	460.09054	202.6
[M+H-H2O]+	404.12464	187.6
[M+HCOO]-	466.12558	208.6
[M+CH3COO]-	480.14123	205.4
[M+Na-2H]-	442.10205	200.4
[M]+	421.12683	200.8
[M]-	421.12793	200.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.13466

196.6

[M+Na]+

444.11660

206.5

[M-H]-

420.12010

200.6

[M+NH4]+

439.16120

209.2

[M+K]+

460.09054

202.6

[M+H-H2O]+

404.12464

187.6

[M+HCOO]-

466.12558

208.6

[M+CH3COO]-

480.14123

205.4

[M+Na-2H]-

442.10205

200.4

[M]+

421.12683

200.8

[M]-

421.12793

200.8

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

10-hydroxy-cpt-gly

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe