CID 2704615

3-(difluoromethoxy)-n-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)benzamide

Structural Information

Molecular Formula
C19H17F2N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)OC(F)F
InChI
InChI=1S/C19H17F2N3O3/c1-12-16(18(26)24(23(12)2)14-8-4-3-5-9-14)22-17(25)13-7-6-10-15(11-13)27-19(20)21/h3-11,19H,1-2H3,(H,22,25)
InChIKey
FXSLEWRSXNGSAN-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1238 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13108 184.4
[M+Na]+ 396.11302 193.3
[M-H]- 372.11652 190.1
[M+NH4]+ 391.15762 195.2
[M+K]+ 412.08696 188.2
[M+H-H2O]+ 356.12106 172.6
[M+HCOO]- 418.12200 204.3
[M+CH3COO]- 432.13765 220.1
[M+Na-2H]- 394.09847 183.1
[M]+ 373.12325 185.2
[M]- 373.12435 185.2
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.