CID 456936

1,5-bis(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole

Structural Information

Molecular Formula
C22H22Cl2N2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCCC4
InChI
InChI=1S/C22H22Cl2N2/c1-16-18(15-25-12-2-3-13-25)14-22(17-4-6-19(23)7-5-17)26(16)21-10-8-20(24)9-11-21/h4-11,14H,2-3,12-13,15H2,1H3
InChIKey
IYLOBHDZERXQKD-UHFFFAOYSA-N
Compound name
1,5-bis(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.116 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12328 195.6
[M+Na]+ 407.10522 204.7
[M-H]- 383.10872 204.8
[M+NH4]+ 402.14982 209.3
[M+K]+ 423.07916 195.6
[M+H-H2O]+ 367.11326 185.2
[M+HCOO]- 429.11420 205.8
[M+CH3COO]- 443.12985 205.2
[M+Na-2H]- 405.09067 190.5
[M]+ 384.11545 197.3
[M]- 384.11655 197.3
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.