CID 503446

Chembl488050

Structural Information

Molecular Formula
C19H16ClN3
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CN4C=CN=C4
InChI
InChI=1S/C19H16ClN3/c20-17-7-5-15(6-8-17)11-23-13-16(12-22-10-9-21-14-22)18-3-1-2-4-19(18)23/h1-10,13-14H,11-12H2
InChIKey
ULGBEQNTNFKWJX-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

321.10327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11055 175.6
[M+Na]+ 344.09249 187.1
[M-H]- 320.09599 183.0
[M+NH4]+ 339.13709 191.1
[M+K]+ 360.06643 178.9
[M+H-H2O]+ 304.10053 165.3
[M+HCOO]- 366.10147 193.5
[M+CH3COO]- 380.11712 187.4
[M+Na-2H]- 342.07794 178.0
[M]+ 321.10272 180.3
[M]- 321.10382 180.3
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

patents stripe