CID 37670

2,3-dihydro-3-ethyl-1-(2-(morpholino)ethyl)-3-phenyl-1h-indole oxalate

Structural Information

Molecular Formula
C22H28N2O
SMILES
CCC1(C(NC2=CC=CC=C21)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H28N2O/c1-2-22(18-8-4-3-5-9-18)19-10-6-7-11-20(19)23-21(22)12-13-24-14-16-25-17-15-24/h3-11,21,23H,2,12-17H2,1H3
InChIKey
LKAQBSSYGFBPOK-UHFFFAOYSA-N
Compound name
4-[2-(3-ethyl-3-phenyl-1,2-dihydroindol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 184.1
[M+Na]+ 359.20937 188.3
[M-H]- 335.21287 189.7
[M+NH4]+ 354.25397 196.9
[M+K]+ 375.18331 182.6
[M+H-H2O]+ 319.21741 173.4
[M+HCOO]- 381.21835 196.9
[M+CH3COO]- 395.23400 192.2
[M+Na-2H]- 357.19482 185.5
[M]+ 336.21960 179.1
[M]- 336.22070 179.1
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.