CID 135403630

Carbovir

Structural Information

Molecular Formula
C11H13N5O2
SMILES
C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C11H13N5O2/c12-11-14-9-8(10(18)15-11)13-5-16(9)7-2-1-6(3-7)4-17/h1-2,5-7,17H,3-4H2,(H3,12,14,15,18)
InChIKey
XSSYCIGJYCVRRK-UHFFFAOYSA-N
Compound name
2-amino-9-[4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

109
References

2720
Patents

247.10692 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11420 153.2
[M+Na]+ 270.09614 164.6
[M+NH4]+ 265.14074 158.8
[M+K]+ 286.07008 164.1
[M-H]- 246.09964 153.5
[M+Na-2H]- 268.08159 157.6
[M]+ 247.10637 154.5
[M]- 247.10747 154.5
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