CID 456929

146204-45-7

Structural Information

Molecular Formula
C23H25ClFN3
SMILES
CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C23H25ClFN3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
InChIKey
MMGMWSVCWJIVAF-UHFFFAOYSA-N
Compound name
1-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

397.1721 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17938 199.1
[M+Na]+ 420.16132 207.4
[M-H]- 396.16482 205.9
[M+NH4]+ 415.20592 208.6
[M+K]+ 436.13526 198.1
[M+H-H2O]+ 380.16936 185.9
[M+HCOO]- 442.17030 209.4
[M+CH3COO]- 456.18595 207.3
[M+Na-2H]- 418.14677 195.0
[M]+ 397.17155 197.4
[M]- 397.17265 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.