CID 21924

4-benzamidoantipyrine

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O2/c1-13-16(19-17(22)14-9-5-3-6-10-14)18(23)21(20(13)2)15-11-7-4-8-12-15/h3-12H,1-2H3,(H,19,22)
InChIKey
TWAXSNQMTXARTQ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

307.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 171.4
[M+Na]+ 330.12130 180.4
[M-H]- 306.12480 179.7
[M+NH4]+ 325.16590 185.0
[M+K]+ 346.09524 175.1
[M+H-H2O]+ 290.12934 161.6
[M+HCOO]- 352.13028 194.7
[M+CH3COO]- 366.14593 207.5
[M+Na-2H]- 328.10675 173.5
[M]+ 307.13153 172.7
[M]- 307.13263 172.7
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

No patent data available for this compound.