CID 172880033

Dhapmp

Structural Information

Molecular Formula
C10H14N5O7P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)NO)COP(=O)(O)O)O
InChI
InChI=1S/C10H14N5O7P/c16-5-1-7(22-6(5)2-21-23(18,19)20)15-4-13-8-9(14-17)11-3-12-10(8)15/h3-7,16-17H,1-2H2,(H,11,12,14)(H2,18,19,20)/t5-,6+,7+/m0/s1
InChIKey
ILRSZPINKXJITK-RRKCRQDMSA-N
Compound name
[(2R,3S,5R)-3-hydroxy-5-[6-(hydroxyamino)purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.06308 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.07036 170.7
[M+Na]+ 370.05230 177.1
[M-H]- 346.05580 169.0
[M+NH4]+ 365.09690 178.6
[M+K]+ 386.02624 176.7
[M+H-H2O]+ 330.06034 160.8
[M+HCOO]- 392.06128 189.2
[M+CH3COO]- 406.07693 202.8
[M+Na-2H]- 368.03775 172.3
[M]+ 347.06253 172.2
[M]- 347.06363 172.2
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.