CID 135449032

54738-75-9

Structural Information

Molecular Formula
C12H10N4O
SMILES
CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C12H10N4O/c1-8-2-4-9(5-3-8)16-11-10(6-15-16)12(17)14-7-13-11/h2-7H,1H3,(H,13,14,17)
InChIKey
OUNSZGRPBAHKHX-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

226.08546 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.092736 149.0
[M+Na]+ 249.074678 161.6
[M-H]- 225.078184 151.4
[M+NH4]+ 244.119283 164.2
[M+K]+ 265.048618 155.4
[M+H-H2O]+ 209.082720 139.8
[M+HCOO]- 271.083661 169.5
[M+CH3COO]- 285.099311 161.7
[M+Na-2H]- 247.060126 156.5
[M]+ 226.08491142 150.4
[M]- 226.08600858 150.4
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

patents stripe