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 175.2
[M+Na]+ 356.03280 184.1
[M-H]- 332.03630 181.6
[M+NH4]+ 351.07740 188.8
[M+K]+ 372.00674 176.7
[M+H-H2O]+ 316.04084 166.0
[M+HCOO]- 378.04178 187.4
[M+CH3COO]- 392.05743 185.6
[M+Na-2H]- 354.01825 176.5
[M]+ 333.04303 176.6
[M]- 333.04413 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

patents stripe