CID 988574

2656-94-2

Structural Information

Molecular Formula
C18H15Cl2N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl2N3O2/c1-11-16(21-17(24)14-9-8-12(19)10-15(14)20)18(25)23(22(11)2)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,21,24)
InChIKey
NUTCUSAQIXPBBI-UHFFFAOYSA-N
Compound name
2,4-dichloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

375.05414 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.06142 185.6
[M+Na]+ 398.04336 197.3
[M-H]- 374.04686 193.3
[M+NH4]+ 393.08796 198.3
[M+K]+ 414.01730 189.6
[M+H-H2O]+ 358.05140 176.8
[M+HCOO]- 420.05234 198.9
[M+CH3COO]- 434.06799 196.6
[M+Na-2H]- 396.02881 184.8
[M]+ 375.05359 191.1
[M]- 375.05469 191.1
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.