CID 3043835

1h-(1,4)oxazino(4,3-a)indole, 3,4-dihydro-1,10-dimethyl-1-((3-diethylamino)propyl)-, hydrobromide

Structural Information

Molecular Formula
C20H30N2O
SMILES
CCN(CC)CCCC1(C2=C(C3=CC=CC=C3N2CCO1)C)C
InChI
InChI=1S/C20H30N2O/c1-5-21(6-2)13-9-12-20(4)19-16(3)17-10-7-8-11-18(17)22(19)14-15-23-20/h7-8,10-11H,5-6,9,12-15H2,1-4H3
InChIKey
SQLFKPXTHRSEOY-UHFFFAOYSA-N
Compound name
3-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.2358 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.24308 178.1
[M+Na]+ 337.22502 190.7
[M+NH4]+ 332.26962 188.5
[M+K]+ 353.19896 182.3
[M-H]- 313.22852 183.0
[M+Na-2H]- 335.21047 183.4
[M]+ 314.23525 181.6
[M]- 314.23635 181.6
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.