CID 10252734

Gp 1a

Structural Information

Molecular Formula
C23H22Cl2N4O
SMILES
CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NN5CCCCC5
InChI
InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30)
InChIKey
FNOMTMVRTBHRET-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-6-methyl-N-piperidin-1-yl-4H-indeno[1,2-c]pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

43
Patents

440.11707 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12435 207.3
[M+Na]+ 463.10629 215.8
[M-H]- 439.10979 214.0
[M+NH4]+ 458.15089 219.0
[M+K]+ 479.08023 207.1
[M+H-H2O]+ 423.11433 196.8
[M+HCOO]- 485.11527 213.0
[M+CH3COO]- 499.13092 214.9
[M+Na-2H]- 461.09174 203.0
[M]+ 440.11652 208.6
[M]- 440.11762 208.6
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