CID 39888

51050-51-2

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]+ 351.206706 187.3
[M+Na]+ 373.188648 191.7
[M-H]- 349.192154 192.9
[M+NH4]+ 368.233253 200.8
[M+K]+ 389.162588 187.2
[M+H-H2O]+ 333.196690 177.8
[M+HCOO]- 395.197631 208.1
[M+CH3COO]- 409.213281 216.8
[M+Na-2H]- 371.174096 188.6
[M]+ 350.19888142 190.3
[M]- 350.19997858 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.