CID 503464

1-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-2-methyl-indole

Structural Information

Molecular Formula
C20H17Cl2N3
SMILES
CC1=C(C2=CC=CC=C2N1CC3=C(C=C(C=C3)Cl)Cl)CN4C=CN=C4
InChI
InChI=1S/C20H17Cl2N3/c1-14-18(12-24-9-8-23-13-24)17-4-2-3-5-20(17)25(14)11-15-6-7-16(21)10-19(15)22/h2-10,13H,11-12H2,1H3
InChIKey
IQSGDGPFJBFVCJ-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.07996 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.08724 188.7
[M+Na]+ 392.06918 201.5
[M-H]- 368.07268 195.5
[M+NH4]+ 387.11378 203.1
[M+K]+ 408.04312 192.3
[M+H-H2O]+ 352.07722 178.3
[M+HCOO]- 414.07816 200.7
[M+CH3COO]- 428.09381 199.5
[M+Na-2H]- 390.05463 188.0
[M]+ 369.07941 195.5
[M]- 369.08051 195.5
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.