PubChemLite - L-arginyl-amp (C16H26N9O8P)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC(=O)[C@H](CCCN=C(N)N)N)O)O)N

InChI

InChI=1S/C16H26N9O8P/c17-7(2-1-3-21-16(19)20)15(28)33-34(29,30)31-4-8-10(26)11(27)14(32-8)25-6-24-9-12(18)22-5-23-13(9)25/h5-8,10-11,14,26-27H,1-4,17H2,(H,29,30)(H2,18,22,23)(H4,19,20,21)/t7-,8+,10+,11+,14+/m0/s1

InChIKey

AJYPLWAQPDERQG-TWBCTODHSA-N

Compound name

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S)-2-amino-5-(diaminomethylideneamino)pentanoate

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]+	504.17146	214.6
[M+Na]+	526.15340	216.7
[M-H]-	502.15690	207.4
[M+NH4]+	521.19800	214.6
[M+K]+	542.12734	219.0
[M+H-H2O]+	486.16144	197.7
[M+HCOO]-	548.16238	216.5
[M+CH3COO]-	562.17803	250.0
[M+Na-2H]-	524.13885	222.2
[M]+	503.16363	226.8
[M]-	503.16473	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

504.17146

214.6

[M+Na]+

526.15340

216.7

[M-H]-

502.15690

207.4

[M+NH4]+

521.19800

214.6

[M+K]+

542.12734

219.0

[M+H-H2O]+

486.16144

197.7

[M+HCOO]-

548.16238

216.5

[M+CH3COO]-

562.17803

250.0

[M+Na-2H]-

524.13885

222.2

[M]+

503.16363

226.8

[M]-

503.16473

226.8

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

L-arginyl-amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe