CID 135521333

Nsc637528

Structural Information

Molecular Formula
C17H17N5O6
SMILES
C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N=CN3[C@@H]4[C@H]([C@H]([C@@H](O4)CO)O)O
InChI
InChI=1S/C17H17N5O6/c23-6-9-11(24)12(25)16(28-9)22-7-18-10-13(22)19-17(21-15(10)27)20-14(26)8-4-2-1-3-5-8/h1-5,7,9,11-12,16,23-25H,6H2,(H2,19,20,21,26,27)/t9-,11-,12-,16-/m0/s1
InChIKey
WZKJANWNNBJHRS-COAQGJIASA-N
Compound name
N-[9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1179 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12518 184.9
[M+Na]+ 410.10712 193.0
[M-H]- 386.11062 188.4
[M+NH4]+ 405.15172 191.1
[M+K]+ 426.08106 188.8
[M+H-H2O]+ 370.11516 176.3
[M+HCOO]- 432.11610 198.5
[M+CH3COO]- 446.13175 193.2
[M+Na-2H]- 408.09257 184.6
[M]+ 387.11735 185.3
[M]- 387.11845 185.3
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.