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]+ 323.211776 179.7
[M+Na]+ 345.193718 184.8
[M-H]- 321.197224 186.8
[M+NH4]+ 340.238323 193.7
[M+K]+ 361.167658 180.1
[M+H-H2O]+ 305.201760 168.8
[M+HCOO]- 367.202701 194.4
[M+CH3COO]- 381.218351 188.9
[M+Na-2H]- 343.179166 181.9
[M]+ 322.20395142 176.1
[M]- 322.20504858 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.