CID 13303395

Methanone, (4-amino-5-phenyl-1h-pyrazol-3-yl)phenyl-

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)C2=NNC(=C2N)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O/c17-13-14(11-7-3-1-4-8-11)18-19-15(13)16(20)12-9-5-2-6-10-12/h1-10H,17H2,(H,18,19)
InChIKey
STVINDVPSJHLHS-UHFFFAOYSA-N
Compound name
(4-amino-3-phenyl-1H-pyrazol-5-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10587 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 161.1
[M+Na]+ 286.09509 174.9
[M+NH4]+ 281.13969 168.6
[M+K]+ 302.06903 169.7
[M-H]- 262.09859 166.1
[M+Na-2H]- 284.08054 170.9
[M]+ 263.10532 164.3
[M]- 263.10642 164.3
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.