CID 503450

Chembl452036

Structural Information

Molecular Formula
C22H22ClN3
SMILES
CC(C)C(C1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)Cl)N4C=CN=C4
InChI
InChI=1S/C22H22ClN3/c1-16(2)22(25-12-11-24-15-25)20-14-26(21-6-4-3-5-19(20)21)13-17-7-9-18(23)10-8-17/h3-12,14-16,22H,13H2,1-2H3
InChIKey
DPEALSQQNAVUDN-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(1-imidazol-1-yl-2-methylpropyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.15024 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15752 189.0
[M+Na]+ 386.13946 198.2
[M-H]- 362.14296 196.2
[M+NH4]+ 381.18406 202.6
[M+K]+ 402.11340 190.5
[M+H-H2O]+ 346.14750 178.5
[M+HCOO]- 408.14844 203.8
[M+CH3COO]- 422.16409 199.2
[M+Na-2H]- 384.12491 187.7
[M]+ 363.14969 193.6
[M]- 363.15079 193.6
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.