CID 198505

67069-39-0

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCN(CC)C(=O)[C@@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CO1)OC)OC
InChI
InChI=1S/C19H28N2O4/c1-5-20(6-2)19(22)18-11-21-8-7-13-9-16(23-3)17(24-4)10-14(13)15(21)12-25-18/h9-10,15,18H,5-8,11-12H2,1-4H3/t15-,18-/m0/s1
InChIKey
LCOQCSWRNWGOIT-YJBOKZPZSA-N
Compound name
(3S,11bR)-N,N-diethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.2049 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 183.6
[M+Na]+ 371.19412 194.0
[M+NH4]+ 366.23872 190.6
[M+K]+ 387.16806 188.4
[M-H]- 347.19762 187.0
[M+Na-2H]- 369.17957 184.9
[M]+ 348.20435 185.8
[M]- 348.20545 185.8
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.