CID 456939

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

Structural Information

Molecular Formula
C22H22ClFN2
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)CN4CCCC4
InChI
InChI=1S/C22H22ClFN2/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
ZXLCHEUDARWURO-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14557 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15285 189.8
[M+Na]+ 391.13479 198.6
[M-H]- 367.13829 198.7
[M+NH4]+ 386.17939 203.7
[M+K]+ 407.10873 190.0
[M+H-H2O]+ 351.14283 178.6
[M+HCOO]- 413.14377 204.2
[M+CH3COO]- 427.15942 199.8
[M+Na-2H]- 389.12024 185.2
[M]+ 368.14502 189.4
[M]- 368.14612 189.4
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.