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 179.1
[M+Na]+ 337.22502 186.5
[M-H]- 313.22852 184.6
[M+NH4]+ 332.26962 197.8
[M+K]+ 353.19896 183.5
[M+H-H2O]+ 297.23306 171.1
[M+HCOO]- 359.23400 198.3
[M+CH3COO]- 373.24965 215.5
[M+Na-2H]- 335.21047 182.9
[M]+ 314.23525 184.0
[M]- 314.23635 184.0
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.