CID 162606

Th 6041

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

333.04358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.05086 174.4
[M+Na]+ 356.03280 189.9
[M+NH4]+ 351.07740 182.7
[M+K]+ 372.00674 182.7
[M-H]- 332.03630 179.7
[M+Na-2H]- 354.01825 183.9
[M]+ 333.04303 178.7
[M]- 333.04413 178.7
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

patents stripe