CID 37656

2,3-dihydro-3-methyl-1-(2-morpholinoethyl)-3-phenyl-1h-indole oxalate

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC1(CN(C2=CC=CC=C21)CCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C21H26N2O/c1-21(18-7-3-2-4-8-18)17-23(20-10-6-5-9-19(20)21)12-11-22-13-15-24-16-14-22/h2-10H,11-17H2,1H3
InChIKey
RIZBGBMFWUDLGM-UHFFFAOYSA-N
Compound name
4-[2-(3-methyl-3-phenyl-2H-indol-1-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 179.7
[M+Na]+ 345.19372 184.8
[M-H]- 321.19722 186.8
[M+NH4]+ 340.23832 193.7
[M+K]+ 361.16766 180.1
[M+H-H2O]+ 305.20176 168.8
[M+HCOO]- 367.20270 194.4
[M+CH3COO]- 381.21835 188.9
[M+Na-2H]- 343.17917 181.9
[M]+ 322.20395 176.1
[M]- 322.20505 176.1
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.