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

1
Patents

300.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 173.8
[M+Na]+ 323.209368 181.6
[M-H]- 299.212874 178.1
[M+NH4]+ 318.253973 192.5
[M+K]+ 339.183308 177.4
[M+H-H2O]+ 283.217410 166.2
[M+HCOO]- 345.218351 192.9
[M+CH3COO]- 359.234001 209.2
[M+Na-2H]- 321.194816 179.0
[M]+ 300.21960142 177.3
[M]- 300.22069858 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