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]+ 255.12404 158.7
[M+Na]+ 277.10598 171.3
[M-H]- 253.10948 161.1
[M+NH4]+ 272.15058 173.0
[M+K]+ 293.07992 164.6
[M+H-H2O]+ 237.11402 149.3
[M+HCOO]- 299.11496 178.4
[M+CH3COO]- 313.13061 170.8
[M+Na-2H]- 275.09143 164.3
[M]+ 254.11621 161.2
[M]- 254.11731 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.