CID 3060317

77965-44-7

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
CN(C)CCN1C2=C(C=C(C=C2)Cl)C(=C1C(=O)OC)OCC3=CC=CC=C3
InChI
InChI=1S/C21H23ClN2O3/c1-23(2)11-12-24-18-10-9-16(22)13-17(18)20(19(24)21(25)26-3)27-14-15-7-5-4-6-8-15/h4-10,13H,11-12,14H2,1-3H3
InChIKey
CNKYBYKGWBSFSC-UHFFFAOYSA-N
Compound name
methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-phenylmethoxyindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

386.1397 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 190.9
[M+Na]+ 409.12892 205.5
[M+NH4]+ 404.17352 198.4
[M+K]+ 425.10286 199.0
[M-H]- 385.13242 195.2
[M+Na-2H]- 407.11437 197.9
[M]+ 386.13915 194.5
[M]- 386.14025 194.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe