CID 135436161

Nsc710664

Structural Information

Molecular Formula
C18H19N5O2
SMILES
C1[C@H](C=C[C@@]1(CC2=CC=CC=C2)CO)N3C=NC4=C3N=C(NC4=O)N
InChI
InChI=1S/C18H19N5O2/c19-17-21-15-14(16(25)22-17)20-11-23(15)13-6-7-18(9-13,10-24)8-12-4-2-1-3-5-12/h1-7,11,13,24H,8-10H2,(H3,19,21,22,25)/t13-,18-/m0/s1
InChIKey
UDDXRQDNCBPPIA-UGSOOPFHSA-N
Compound name
2-amino-9-[(1R,4S)-4-benzyl-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.15387 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.16115 176.4
[M+Na]+ 360.14309 186.6
[M-H]- 336.14659 180.9
[M+NH4]+ 355.18769 189.3
[M+K]+ 376.11703 179.3
[M+H-H2O]+ 320.15113 166.7
[M+HCOO]- 382.15207 194.9
[M+CH3COO]- 396.16772 186.5
[M+Na-2H]- 358.12854 179.1
[M]+ 337.15332 175.9
[M]- 337.15442 175.9
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.