CID 503453

Chembl510061

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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 195.5
[M+Na]+ 400.15508 205.1
[M-H]- 376.15858 202.9
[M+NH4]+ 395.19968 208.8
[M+K]+ 416.12902 197.2
[M+H-H2O]+ 360.16312 185.2
[M+HCOO]- 422.16406 209.3
[M+CH3COO]- 436.17971 205.5
[M+Na-2H]- 398.14053 195.5
[M]+ 377.16531 200.4
[M]- 377.16641 200.4
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.