N(6)-methyl-amp (C11H16N5O7P)

Structural Information

Molecular Formula

SMILES

CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

InChI

InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1

InChIKey

WETVNPRPZIYMAC-IOSLPCCCSA-N

Compound name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)purin-9-yl]oxolan-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]+	362.086016	176.7
[M+Na]+	384.067958	183.5
[M-H]-	360.071464	175.3
[M+NH4]+	379.112563	184.4
[M+K]+	400.041898	182.9
[M+H-H2O]+	344.076000	167.0
[M+HCOO]-	406.076941	194.8
[M+CH3COO]-	420.092591	207.2
[M+Na-2H]-	382.053406	177.0
[M]+	361.07819142	178.9
[M]-	361.07928858	178.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

362.086016

176.7

[M+Na]+

384.067958

183.5

[M-H]-

360.071464

175.3

[M+NH4]+

379.112563

184.4

[M+K]+

400.041898

182.9

[M+H-H2O]+

344.076000

167.0

[M+HCOO]-

406.076941

194.8

[M+CH3COO]-

420.092591

207.2

[M+Na-2H]-

382.053406

177.0

[M]+

361.07819142

178.9

[M]-

361.07928858

178.9

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

N(6)-methyl-amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe