CID 3082093

L-arginyl-amp

Structural Information

Molecular Formula
C16H26N9O8P
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

compound 2d structure
1
Annotation Hits

2
References

4
Patents

503.16418 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.17146 212.4
[M+Na]+ 526.15340 217.8
[M+NH4]+ 521.19800 215.4
[M+K]+ 542.12734 212.9
[M-H]- 502.15690 208.6
[M+Na-2H]- 524.13885 216.2
[M]+ 503.16363 213.3
[M]- 503.16473 213.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe