CID 3061967

80030-90-6

Structural Information

Molecular Formula
C13H12N4O
SMILES
CC1=C2C(=NN1)C(=O)N(C=N2)CC3=CC=CC=C3
InChI
InChI=1S/C13H12N4O/c1-9-11-12(16-15-9)13(18)17(8-14-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,15,16)
InChIKey
FBZSXEMKESNDEA-UHFFFAOYSA-N
Compound name
6-benzyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 152.9
[M+Na]+ 263.09032 169.2
[M+NH4]+ 258.13492 160.2
[M+K]+ 279.06426 163.6
[M-H]- 239.09382 155.0
[M+Na-2H]- 261.07577 161.5
[M]+ 240.10055 155.8
[M]- 240.10165 155.8
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.