PubChemLite - Isopentenyl-amp (C15H22N5O7P)

Structural Information

Molecular Formula

SMILES

CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C

InChI

InChI=1S/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1

InChIKey

DUISZFLWBAPRBR-SDBHATRESA-N

Compound name

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(3-methylbut-2-enylamino)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]+	416.13295	192.4
[M+Na]+	438.11489	197.8
[M+NH4]+	433.15949	192.6
[M+K]+	454.08883	202.8
[M-H]-	414.11839	189.3
[M+Na-2H]-	436.10034	190.1
[M]+	415.12512	191.3
[M]-	415.12622	191.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.13295

192.4

[M+Na]+

438.11489

197.8

[M+NH4]+

433.15949

192.6

[M+K]+

454.08883

202.8

[M-H]-

414.11839

189.3

[M+Na-2H]-

436.10034

190.1

[M]+

415.12512

191.3

[M]-

415.12622

191.3

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

Isopentenyl-amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe