CID 3008116

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

Structural Information

Molecular Formula
C23H26ClN3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2Cl)C3=CC=CC=C3)CN4CCN(CC4)C
InChI
InChI=1S/C23H26ClN3/c1-18-20(17-26-14-12-25(2)13-15-26)16-23(19-8-4-3-5-9-19)27(18)22-11-7-6-10-21(22)24/h3-11,16H,12-15,17H2,1-2H3
InChIKey
GAIVONYHYPCJNF-UHFFFAOYSA-N
Compound name
1-[[1-(2-chlorophenyl)-2-methyl-5-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

379.18152 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18880 195.8
[M+Na]+ 402.17074 203.2
[M-H]- 378.17424 203.6
[M+NH4]+ 397.21534 205.8
[M+K]+ 418.14468 194.4
[M+H-H2O]+ 362.17878 183.3
[M+HCOO]- 424.17972 207.1
[M+CH3COO]- 438.19537 204.3
[M+Na-2H]- 400.15619 193.0
[M]+ 379.18097 194.6
[M]- 379.18207 194.6
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.