CID 3043845

56220-87-2

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCCC1(C2=C(C3=CC=CC=C3N2CCO1)C)CCNCC
InChI
InChI=1S/C19H28N2O/c1-4-10-19(11-12-20-5-2)18-15(3)16-8-6-7-9-17(16)21(18)13-14-22-19/h6-9,20H,4-5,10-14H2,1-3H3
InChIKey
ZYDIJASKIVYVBR-UHFFFAOYSA-N
Compound name
N-ethyl-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

0
Patents

300.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.22743 173.8
[M+Na]+ 323.20937 181.6
[M-H]- 299.21287 178.1
[M+NH4]+ 318.25397 192.5
[M+K]+ 339.18331 177.4
[M+H-H2O]+ 283.21741 166.2
[M+HCOO]- 345.21835 192.9
[M+CH3COO]- 359.23400 209.2
[M+Na-2H]- 321.19482 179.0
[M]+ 300.21960 177.3
[M]- 300.22070 177.3
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