CID 5274715

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

Structural Information

Molecular Formula
C27H28ClN3
SMILES
CC1=C(C=C(N1C2=CC=CC=C2Cl)C3=CC=CC4=CC=CC=C43)CN5CCN(CC5)C
InChI
InChI=1S/C27H28ClN3/c1-20-22(19-30-16-14-29(2)15-17-30)18-27(31(20)26-13-6-5-12-25(26)28)24-11-7-9-21-8-3-4-10-23(21)24/h3-13,18H,14-17,19H2,1-2H3
InChIKey
SPULMDZLKWYAGM-UHFFFAOYSA-N
Compound name
1-[[1-(2-chlorophenyl)-2-methyl-5-naphthalen-1-ylpyrrol-3-yl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

429.19717 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.20445 210.3
[M+Na]+ 452.18639 218.9
[M-H]- 428.18989 219.2
[M+NH4]+ 447.23099 219.1
[M+K]+ 468.16033 208.6
[M+H-H2O]+ 412.19443 196.9
[M+HCOO]- 474.19537 221.1
[M+CH3COO]- 488.21102 218.1
[M+Na-2H]- 450.17184 208.1
[M]+ 429.19662 210.8
[M]- 429.19772 210.8
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.