CID 3039463

Brn 0962395

Structural Information

Molecular Formula
C16H13Cl2N3O
SMILES
C1CN(N=C1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O/c17-13-7-6-12(10-14(13)18)19-16(22)21-9-8-15(20-21)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,22)
InChIKey
HEFNNXOKWNJCCB-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.04358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.050856 175.2
[M+Na]+ 356.032798 184.1
[M-H]- 332.036304 181.6
[M+NH4]+ 351.077403 188.8
[M+K]+ 372.006738 176.7
[M+H-H2O]+ 316.040840 166.0
[M+HCOO]- 378.041781 187.4
[M+CH3COO]- 392.057431 185.6
[M+Na-2H]- 354.018246 176.5
[M]+ 333.04303142 176.6
[M]- 333.04412858 176.6
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.