CID 39888

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

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C22H26N2O2/c1-3-24(4-2)14-15-26-22(25)21(17-10-6-5-7-11-17)19-16-23-20-13-9-8-12-18(19)20/h5-13,16,21,23H,3-4,14-15H2,1-2H3
InChIKey
UCRBCMKESVCSKR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(1H-indol-3-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 187.3
[M+Na]+ 373.18865 191.7
[M-H]- 349.19215 192.9
[M+NH4]+ 368.23325 200.8
[M+K]+ 389.16259 187.2
[M+H-H2O]+ 333.19669 177.8
[M+HCOO]- 395.19763 208.1
[M+CH3COO]- 409.21328 216.8
[M+Na-2H]- 371.17410 188.6
[M]+ 350.19888 190.3
[M]- 350.19998 190.3
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.