CID 882232

1h-pyrazole-4-carboxamide, 1,3-diphenyl-

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)C2=NN(C=C2C(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3O/c17-16(20)14-11-19(13-9-5-2-6-10-13)18-15(14)12-7-3-1-4-8-12/h1-11H,(H2,17,20)
InChIKey
DQXLTOJKQOBXHA-UHFFFAOYSA-N
Compound name
1,3-diphenylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

263.10587 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.3
[M+Na]+ 286.09509 167.2
[M-H]- 262.09859 166.6
[M+NH4]+ 281.13969 173.9
[M+K]+ 302.06903 162.0
[M+H-H2O]+ 246.10313 149.7
[M+HCOO]- 308.10407 182.4
[M+CH3COO]- 322.11972 171.2
[M+Na-2H]- 284.08054 163.1
[M]+ 263.10532 157.6
[M]- 263.10642 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe