CID 472074

1-[[1-benzyl-5-(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-4-methyl-piperazine

Structural Information

Molecular Formula
C24H28ClN3
SMILES
CC1=C(C=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
InChI
InChI=1S/C24H28ClN3/c1-19-22(18-27-14-12-26(2)13-15-27)16-24(21-8-10-23(25)11-9-21)28(19)17-20-6-4-3-5-7-20/h3-11,16H,12-15,17-18H2,1-2H3
InChIKey
BOUXPWMWRAFQSU-UHFFFAOYSA-N
Compound name
1-[[1-benzyl-5-(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.19717 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20445 200.2
[M+Na]+ 416.18639 207.0
[M-H]- 392.18989 207.8
[M+NH4]+ 411.23099 209.5
[M+K]+ 432.16033 198.0
[M+H-H2O]+ 376.19443 187.5
[M+HCOO]- 438.19537 211.1
[M+CH3COO]- 452.21102 208.2
[M+Na-2H]- 414.17184 196.9
[M]+ 393.19662 199.2
[M]- 393.19772 199.2
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.