CID 503452

1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylpentyl)indole

Structural Information

Molecular Formula
C23H24ClN3
SMILES
CCCCC(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C23H24ClN3/c1-2-3-7-23(26-14-13-25-17-26)21-16-27(22-8-5-4-6-20(21)22)15-18-9-11-19(24)12-10-18/h4-6,8-14,16-17,23H,2-3,7,15H2,1H3
InChIKey
GZUZXOSBCBLQDH-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-ylpentyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.16586 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17314 193.8
[M+Na]+ 400.15508 202.9
[M-H]- 376.15858 200.6
[M+NH4]+ 395.19968 206.8
[M+K]+ 416.12902 194.4
[M+H-H2O]+ 360.16312 182.7
[M+HCOO]- 422.16406 209.2
[M+CH3COO]- 436.17971 203.6
[M+Na-2H]- 398.14053 192.9
[M]+ 377.16531 199.1
[M]- 377.16641 199.1
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.