CID 135434162

9-dhp-gmp

Structural Information

Molecular Formula
C9H14N5O7P
SMILES
C1=NC2=C(N1COC(CO)COP(=O)(O)O)N=C(NC2=O)N
InChI
InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)
InChIKey
LSJIZCGOXSEZNF-UHFFFAOYSA-N
Compound name
[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]-3-hydroxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

246
Patents

335.06308 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07036 169.2
[M+Na]+ 358.05230 176.4
[M-H]- 334.05580 163.1
[M+NH4]+ 353.09690 177.2
[M+K]+ 374.02624 174.5
[M+H-H2O]+ 318.06034 159.2
[M+HCOO]- 380.06128 188.4
[M+CH3COO]- 394.07693 201.0
[M+Na-2H]- 356.03775 171.5
[M]+ 335.06253 171.7
[M]- 335.06363 171.7
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