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]+ 337.227426 184.1
[M+Na]+ 359.209368 188.3
[M-H]- 335.212874 189.7
[M+NH4]+ 354.253973 196.9
[M+K]+ 375.183308 182.6
[M+H-H2O]+ 319.217410 173.4
[M+HCOO]- 381.218351 196.9
[M+CH3COO]- 395.234001 192.2
[M+Na-2H]- 357.194816 185.5
[M]+ 336.21960142 179.1
[M]- 336.22069858 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.