PubChemLite - L-lysyl-5'-amp (C16H26N7O8P)

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](CCCCN)N)O)O)N

InChI

InChI=1S/C16H26N7O8P/c17-4-2-1-3-8(18)16(26)31-32(27,28)29-5-9-11(24)12(25)15(30-9)23-7-22-10-13(19)20-6-21-14(10)23/h6-9,11-12,15,24-25H,1-5,17-18H2,(H,27,28)(H2,19,20,21)/t8-,9+,11+,12+,15+/m0/s1

InChIKey

RZWIOOBQBMRZTQ-OPYVMVOTSA-N

Compound name

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

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]+	476.16533	201.2
[M+Na]+	498.14727	203.2
[M-H]-	474.15077	199.7
[M+NH4]+	493.19187	203.3
[M+K]+	514.12121	204.3
[M+H-H2O]+	458.15531	190.5
[M+HCOO]-	520.15625	217.9
[M+CH3COO]-	534.17190	237.1
[M+Na-2H]-	496.13272	212.4
[M]+	475.15750	202.0
[M]-	475.15860	202.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.16533

201.2

[M+Na]+

498.14727

203.2

[M-H]-

474.15077

199.7

[M+NH4]+

493.19187

203.3

[M+K]+

514.12121

204.3

[M+H-H2O]+

458.15531

190.5

[M+HCOO]-

520.15625

217.9

[M+CH3COO]-

534.17190

237.1

[M+Na-2H]-

496.13272

212.4

[M]+

475.15750

202.0

[M]-

475.15860

202.0

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

L-lysyl-5'-amp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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