CID 3047054

Brn 0934213

Structural Information

Molecular Formula
C17H15Cl2N3O
SMILES
CN(C1=CC=C(C=C1)Cl)C(=O)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H15Cl2N3O/c1-21(15-8-6-14(19)7-9-15)17(23)22-11-10-16(20-22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3
InChIKey
NQFIXFDBSNMPSS-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.06648 179.3
[M+Na]+ 370.04842 187.9
[M-H]- 346.05192 187.0
[M+NH4]+ 365.09302 192.9
[M+K]+ 386.02236 181.6
[M+H-H2O]+ 330.05646 169.7
[M+HCOO]- 392.05740 191.7
[M+CH3COO]- 406.07305 189.8
[M+Na-2H]- 368.03387 179.4
[M]+ 347.05865 182.3
[M]- 347.05975 182.3
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.