CID 3061966

Brn 4504798

Structural Information

Molecular Formula
C14H14N4O
SMILES
CC1=CC=C(C=C1)CN2C=NC3=C(NN=C3C2=O)C
InChI
InChI=1S/C14H14N4O/c1-9-3-5-11(6-4-9)7-18-8-15-12-10(2)16-17-13(12)14(18)19/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKey
OLHRTEGQDHYDFA-UHFFFAOYSA-N
Compound name
3-methyl-6-[(4-methylphenyl)methyl]-2H-pyrazolo[4,3-d]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.124036 158.7
[M+Na]+ 277.105978 171.3
[M-H]- 253.109484 161.1
[M+NH4]+ 272.150583 173.0
[M+K]+ 293.079918 164.6
[M+H-H2O]+ 237.114020 149.3
[M+HCOO]- 299.114961 178.4
[M+CH3COO]- 313.130611 170.8
[M+Na-2H]- 275.091426 164.3
[M]+ 254.11621142 161.2
[M]- 254.11730858 161.2
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.