CID 456927

146204-43-5

Structural Information

Molecular Formula
C23H24Cl3N3
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C23H24Cl3N3/c1-16-18(15-28-11-9-27(2)10-12-28)13-23(17-3-5-19(24)6-4-17)29(16)22-8-7-20(25)14-21(22)26/h3-8,13-14H,9-12,15H2,1-2H3
InChIKey
GAEDFZPFKNWXFV-UHFFFAOYSA-N
Compound name
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.10358 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.11086 208.5
[M+Na]+ 470.09280 217.5
[M-H]- 446.09630 214.2
[M+NH4]+ 465.13740 216.7
[M+K]+ 486.06674 207.9
[M+H-H2O]+ 430.10084 196.1
[M+HCOO]- 492.10178 208.9
[M+CH3COO]- 506.11743 215.3
[M+Na-2H]- 468.07825 202.3
[M]+ 447.10303 209.5
[M]- 447.10413 209.5
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.