CID 3043841

56220-85-0

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCCC1(C2=C(C3=CC=CC=C3N2CCO1)C)CCNC
InChI
InChI=1S/C18H26N2O/c1-4-9-18(10-11-19-3)17-14(2)15-7-5-6-8-16(15)20(17)12-13-21-18/h5-8,19H,4,9-13H2,1-3H3
InChIKey
MDMUXLSAMUQPDS-UHFFFAOYSA-N
Compound name
N-methyl-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

286.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 169.3
[M+Na]+ 309.19372 182.1
[M+NH4]+ 304.23832 179.7
[M+K]+ 325.16766 173.6
[M-H]- 285.19722 174.0
[M+Na-2H]- 307.17917 174.8
[M]+ 286.20395 172.7
[M]- 286.20505 172.7
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.