CID 503462

Chembl511052

Structural Information

Molecular Formula
C20H18ClN3
SMILES
CC1=C(C2=CC=CC=C2N1CC3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C20H18ClN3/c1-15-19(13-23-11-10-22-14-23)18-4-2-3-5-20(18)24(15)12-16-6-8-17(21)9-7-16/h2-11,14H,12-13H2,1H3
InChIKey
AVMRIOMMIRTNLM-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

335.11893 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12621 180.8
[M+Na]+ 358.10815 192.7
[M-H]- 334.11165 188.4
[M+NH4]+ 353.15275 196.1
[M+K]+ 374.08209 184.3
[M+H-H2O]+ 318.11619 170.5
[M+HCOO]- 380.11713 198.3
[M+CH3COO]- 394.13278 192.4
[M+Na-2H]- 356.09360 181.9
[M]+ 335.11838 186.2
[M]- 335.11948 186.2
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.