CID 456938

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

Structural Information

Molecular Formula
C22H23ClN2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CN4CCCC4
InChI
InChI=1S/C22H23ClN2/c1-17-19(16-24-13-5-6-14-24)15-22(18-9-11-20(23)12-10-18)25(17)21-7-3-2-4-8-21/h2-4,7-12,15H,5-6,13-14,16H2,1H3
InChIKey
VTZOHSWEVGSDRE-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-methyl-1-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.15497 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.16225 187.1
[M+Na]+ 373.14419 195.0
[M-H]- 349.14769 197.0
[M+NH4]+ 368.18879 201.5
[M+K]+ 389.11813 186.9
[M+H-H2O]+ 333.15223 176.6
[M+HCOO]- 395.15317 202.6
[M+CH3COO]- 409.16882 197.3
[M+Na-2H]- 371.12964 183.7
[M]+ 350.15442 187.2
[M]- 350.15552 187.2
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.