PubChemLite - 7-methylguanosine 5'-diphosphate(2-) (C11H18N5O11P2)

Structural Information

Molecular Formula

SMILES

CN1C=[N+](C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O

InChI

InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1

InChIKey

SBASPRRECYVBRF-KQYNXXCUSA-O

Compound name

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-1H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen 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]+	459.05508	187.0
[M+Na]+	481.03702	191.8
[M+NH4]+	476.08162	188.2
[M+K]+	497.01096	191.3
[M-H]-	457.04052	181.4
[M+Na-2H]-	479.02247	186.8
[M]+	458.04725	185.8
[M]-	458.04835	185.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.05508

187.0

[M+Na]+

481.03702

191.8

[M+NH4]+

476.08162

188.2

[M+K]+

497.01096

191.3

[M-H]-

457.04052

181.4

[M+Na-2H]-

479.02247

186.8

[M]+

458.04725

185.8

[M]-

458.04835

185.8

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

7-methylguanosine 5'-diphosphate(2-)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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