CID 503465

Schembl6706882

Structural Information

Molecular Formula
C21H19Cl2N3
SMILES
CC1=C(C2=CC=CC=C2N1CC3=C(C=C(C=C3)Cl)Cl)C(C)N4C=CN=C4
InChI
InChI=1S/C21H19Cl2N3/c1-14(25-10-9-24-13-25)21-15(2)26(20-6-4-3-5-18(20)21)12-16-7-8-17(22)11-19(16)23/h3-11,13-14H,12H2,1-2H3
InChIKey
AYRQJZKHLQSILR-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-3-(1-imidazol-1-ylethyl)-2-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

383.0956 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.10288 192.5
[M+Na]+ 406.08482 204.6
[M-H]- 382.08832 199.4
[M+NH4]+ 401.12942 206.3
[M+K]+ 422.05876 195.6
[M+H-H2O]+ 366.09286 182.3
[M+HCOO]- 428.09380 203.3
[M+CH3COO]- 442.10945 202.9
[M+Na-2H]- 404.07027 190.4
[M]+ 383.09505 199.2
[M]- 383.09615 199.2
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

patents stripe