CID 136869087

1921494-74-7

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=C2NC(=O)C=C(N2N=C1)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O/c1-9-8-14-16-11(7-12(17)15-13(9)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
InChIKey
ZZROBFCAXIFQSD-UHFFFAOYSA-N
Compound name
3-methyl-7-phenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.3
[M+Na]+ 248.07943 160.5
[M-H]- 224.08293 152.0
[M+NH4]+ 243.12403 165.0
[M+K]+ 264.05337 154.4
[M+H-H2O]+ 208.08747 139.8
[M+HCOO]- 270.08841 169.9
[M+CH3COO]- 284.10406 161.4
[M+Na-2H]- 246.06488 155.4
[M]+ 225.08966 149.6
[M]- 225.09076 149.6
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.