CID 135564825

(-)-carbovir diphosphate

Structural Information

Molecular Formula
C11H15N5O8P2
SMILES
C1[C@@H](C=C[C@@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C11H15N5O8P2/c12-11-14-9-8(10(17)15-11)13-5-16(9)7-2-1-6(3-7)4-23-26(21,22)24-25(18,19)20/h1-2,5-7H,3-4H2,(H,21,22)(H2,18,19,20)(H3,12,14,15,17)/t6-,7+/m1/s1
InChIKey
LBDJPXUIKREEKI-RQJHMYQMSA-N
Compound name
[(1S,4R)-4-(2-amino-6-oxo-1H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

407.03958 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04686 182.5
[M+Na]+ 430.02880 187.4
[M-H]- 406.03230 179.0
[M+NH4]+ 425.07340 188.9
[M+K]+ 446.00274 187.1
[M+H-H2O]+ 390.03684 170.6
[M+HCOO]- 452.03778 205.5
[M+CH3COO]- 466.05343 213.3
[M+Na-2H]- 428.01425 182.9
[M]+ 407.03903 183.2
[M]- 407.04013 183.2
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.