CID 6918856

Carboxamide derivative 1

Structural Information

Molecular Formula
C21H22Cl2N4O
SMILES
C1CCN(CC1)NC(=O)C2=NN(C(C2)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H22Cl2N4O/c22-16-9-10-19(17(23)13-16)27-20(15-7-3-1-4-8-15)14-18(24-27)21(28)25-26-11-5-2-6-12-26/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,25,28)
InChIKey
IAMSOYSVSFMFLR-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

416.11707 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.12435 198.7
[M+Na]+ 439.10629 204.2
[M-H]- 415.10979 205.4
[M+NH4]+ 434.15089 206.8
[M+K]+ 455.08023 196.0
[M+H-H2O]+ 399.11433 186.4
[M+HCOO]- 461.11527 204.7
[M+CH3COO]- 475.13092 205.6
[M+Na-2H]- 437.09174 195.9
[M]+ 416.11652 196.1
[M]- 416.11762 196.1
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