CID 39890

Alpha-phenylindole-3-acetic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O2/c1-22(2)12-13-24-20(23)19(15-8-4-3-5-9-15)17-14-21-18-11-7-6-10-16(17)18/h3-11,14,19,21H,12-13H2,1-2H3
InChIKey
GOAVXRDZKWCSSW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(1H-indol-3-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 178.0
[M+Na]+ 345.15734 183.4
[M-H]- 321.16084 184.1
[M+NH4]+ 340.20194 192.7
[M+K]+ 361.13128 179.4
[M+H-H2O]+ 305.16538 169.0
[M+HCOO]- 367.16632 199.6
[M+CH3COO]- 381.18197 211.0
[M+Na-2H]- 343.14279 180.5
[M]+ 322.16757 180.4
[M]- 322.16867 180.4
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

No patent data available for this compound.