CID 456937

1h-pyrrole, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methyl-3-(1-pyrrolidinylmethyl)-

Structural Information

Molecular Formula
C22H21Cl3N2
SMILES
CC1=C(C=C(N1C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)Cl)CN4CCCC4
InChI
InChI=1S/C22H21Cl3N2/c1-15-17(14-26-10-2-3-11-26)12-22(16-4-6-18(23)7-5-16)27(15)21-9-8-19(24)13-20(21)25/h4-9,12-13H,2-3,10-11,14H2,1H3
InChIKey
OHGYTSJQQVWPTI-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.07703 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.08431 203.3
[M+Na]+ 441.06625 213.0
[M-H]- 417.06975 211.1
[M+NH4]+ 436.11085 215.8
[M+K]+ 457.04019 203.5
[M+H-H2O]+ 401.07429 192.9
[M+HCOO]- 463.07523 207.7
[M+CH3COO]- 477.09088 211.7
[M+Na-2H]- 439.05170 196.3
[M]+ 418.07648 205.5
[M]- 418.07758 205.5
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.