CID 4169351

618091-04-6

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC=CC=C1C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H15N3O/c1-12-7-5-6-10-14(12)16(21)15-11-19-20(17(15)18)13-8-3-2-4-9-13/h2-11H,18H2,1H3
InChIKey
SYUICTFALBBYSZ-UHFFFAOYSA-N
Compound name
(5-amino-1-phenylpyrazol-4-yl)-(2-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12152 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 165.2
[M+Na]+ 300.11074 179.8
[M+NH4]+ 295.15534 172.9
[M+K]+ 316.08468 174.2
[M-H]- 276.11424 170.7
[M+Na-2H]- 298.09619 175.1
[M]+ 277.12097 168.8
[M]- 277.12207 168.8
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.