CID 3043843

56220-86-1

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCCC1(C2=C(C3=CC=CC=C3N2CCO1)C)CCN(C)C
InChI
InChI=1S/C19H28N2O/c1-5-10-19(11-12-20(3)4)18-15(2)16-8-6-7-9-17(16)21(18)13-14-22-19/h6-9H,5,10-14H2,1-4H3
InChIKey
OMCVJGAPJIUOBG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(10-methyl-1-propyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.22015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 174.4
[M+Na]+ 323.20937 182.3
[M-H]- 299.21287 180.1
[M+NH4]+ 318.25397 193.7
[M+K]+ 339.18331 179.5
[M+H-H2O]+ 283.21741 166.6
[M+HCOO]- 345.21835 193.9
[M+CH3COO]- 359.23400 212.5
[M+Na-2H]- 321.19482 178.8
[M]+ 300.21960 179.0
[M]- 300.22070 179.0
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

patents stripe