CID 11037861

Nida-41020

Structural Information

Molecular Formula
C23H24Cl2N4O2
SMILES
CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H24Cl2N4O2/c1-15-21(23(30)27-28-12-4-3-5-13-28)26-29(20-11-8-17(24)14-19(20)25)22(15)16-6-9-18(31-2)10-7-16/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,30)
InChIKey
KWDBQJRWPWTGPF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

43
Patents

458.12762 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.13490 209.5
[M+Na]+ 481.11684 216.7
[M-H]- 457.12034 217.2
[M+NH4]+ 476.16144 216.5
[M+K]+ 497.09078 208.8
[M+H-H2O]+ 441.12488 197.5
[M+HCOO]- 503.12582 216.4
[M+CH3COO]- 517.14147 216.7
[M+Na-2H]- 479.10229 205.5
[M]+ 458.12707 211.2
[M]- 458.12817 211.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe