CID 495017

N2-benzoyl-2',3'-dideoxyguanosine

Structural Information

Molecular Formula
C17H17N5O4
SMILES
C1C[C@H](O[C@H]1CO)N2C=NC3=C2N=C(N(C3=O)C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C17H17N5O4/c18-17-20-14-13(19-9-21(14)12-7-6-11(8-23)26-12)16(25)22(17)15(24)10-4-2-1-3-5-10/h1-5,9,11-12,23H,6-8H2,(H2,18,20)/t11-,12+/m1/s1
InChIKey
YOXFWAONAZHRBJ-NEPJUHHUSA-N
Compound name
2-amino-1-benzoyl-9-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12805 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13533 180.3
[M+Na]+ 378.11727 189.8
[M-H]- 354.12077 186.7
[M+NH4]+ 373.16187 189.7
[M+K]+ 394.09121 185.6
[M+H-H2O]+ 338.12531 170.8
[M+HCOO]- 400.12625 197.6
[M+CH3COO]- 414.14190 190.4
[M+Na-2H]- 376.10272 180.3
[M]+ 355.12750 181.7
[M]- 355.12860 181.7
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.