CID 11844107

Chembl210103

Structural Information

Molecular Formula
C23H24Cl2FN3
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)F)CN4CCN(CC4)C
InChI
InChI=1S/C23H24Cl2FN3/c1-16-18(15-28-11-9-27(2)10-12-28)13-23(17-3-6-20(26)7-4-17)29(16)22-8-5-19(24)14-21(22)25/h3-8,13-14H,9-12,15H2,1-2H3
InChIKey
ZBQNJUMHVSSJLK-UHFFFAOYSA-N
Compound name
1-[[1-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

431.13312 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.14040 205.4
[M+Na]+ 454.12234 214.8
[M-H]- 430.12584 211.5
[M+NH4]+ 449.16694 214.2
[M+K]+ 470.09628 204.8
[M+H-H2O]+ 414.13038 192.3
[M+HCOO]- 476.13132 210.4
[M+CH3COO]- 490.14697 213.0
[M+Na-2H]- 452.10779 199.7
[M]+ 431.13257 205.4
[M]- 431.13367 205.4
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

No patent data available for this compound.