PubChemLite - Puromycin aminonucleoside-5'-monophosphate (C12H19N6O6P)

Structural Information

Molecular Formula

SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)N)O

InChI

InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1

InChIKey

BFPIKGKMRKBBBF-GRIPGOBMSA-N

Compound name

[(2S,3S,4R,5R)-3-amino-5-[6-(dimethylamino)purin-9-yl]-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

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]+	375.11766	181.1
[M+Na]+	397.09960	187.5
[M-H]-	373.10310	182.0
[M+NH4]+	392.14420	189.2
[M+K]+	413.07354	187.9
[M+H-H2O]+	357.10764	170.9
[M+HCOO]-	419.10858	201.3
[M+CH3COO]-	433.12423	217.7
[M+Na-2H]-	395.08505	180.5
[M]+	374.10983	183.8
[M]-	374.11093	183.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

375.11766

181.1

[M+Na]+

397.09960

187.5

[M-H]-

373.10310

182.0

[M+NH4]+

392.14420

189.2

[M+K]+

413.07354

187.9

[M+H-H2O]+

357.10764

170.9

[M+HCOO]-

419.10858

201.3

[M+CH3COO]-

433.12423

217.7

[M+Na-2H]-

395.08505

180.5

[M]+

374.10983

183.8

[M]-

374.11093

183.8

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

Puromycin aminonucleoside-5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe