CID 71510744

Ica-1

Structural Information

Molecular Formula
C10H17N4O7P
SMILES
C1[C@H]([C@@H]([C@@H]([C@H]1N2C=NC(=C2N)C(=O)N)O)O)COP(=O)(O)O
InChI
InChI=1S/C10H17N4O7P/c11-9-6(10(12)17)13-3-14(9)5-1-4(7(15)8(5)16)2-21-22(18,19)20/h3-5,7-8,15-16H,1-2,11H2,(H2,12,17)(H2,18,19,20)/t4-,5-,7-,8+/m0/s1
InChIKey
VFGPDCAAUMRRSL-BKMCOVHNSA-N
Compound name
[(1S,2S,3R,4S)-4-(5-amino-4-carbamoylimidazol-1-yl)-2,3-dihydroxycyclopentyl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.0835 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09078 168.4
[M+Na]+ 359.07272 172.7
[M-H]- 335.07622 166.4
[M+NH4]+ 354.11732 179.2
[M+K]+ 375.04666 171.9
[M+H-H2O]+ 319.08076 159.8
[M+HCOO]- 381.08170 188.5
[M+CH3COO]- 395.09735 205.5
[M+Na-2H]- 357.05817 164.0
[M]+ 336.08295 164.8
[M]- 336.08405 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.