CID 27108

Benzamide, n-antipyrinyl-m-bromo-n-methyl-

Structural Information

Molecular Formula
C19H18BrN3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C19H18BrN3O2/c1-13-17(21(2)18(24)14-8-7-9-15(20)12-14)19(25)23(22(13)3)16-10-5-4-6-11-16/h4-12H,1-3H3
InChIKey
NZTSLTCDTOHMKQ-UHFFFAOYSA-N
Compound name
3-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.05823 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06551 184.4
[M+Na]+ 422.04745 196.2
[M-H]- 398.05095 196.2
[M+NH4]+ 417.09205 199.0
[M+K]+ 438.02139 184.5
[M+H-H2O]+ 382.05549 181.1
[M+HCOO]- 444.05643 205.3
[M+CH3COO]- 458.07208 222.5
[M+Na-2H]- 420.03290 185.7
[M]+ 399.05768 206.0
[M]- 399.05878 206.0
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.