CID 3079353

Md 370026

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CNC[C@H]1[C@@H]2CCC3=C(N2C(=O)O1)C=CC(=C3)OC
InChI
InChI=1S/C14H18N2O3/c1-15-8-13-12-5-3-9-7-10(18-2)4-6-11(9)16(12)14(17)19-13/h4,6-7,12-13,15H,3,5,8H2,1-2H3/t12-,13-/m0/s1
InChIKey
BNWQZGWOOTZXKP-STQMWFEESA-N
Compound name
(3S,3aS)-7-methoxy-3-(methylaminomethyl)-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 158.0
[M+Na]+ 285.120958 165.8
[M-H]- 261.124464 162.5
[M+NH4]+ 280.165563 176.0
[M+K]+ 301.094898 163.7
[M+H-H2O]+ 245.129000 151.2
[M+HCOO]- 307.129941 176.5
[M+CH3COO]- 321.145591 200.2
[M+Na-2H]- 283.106406 162.6
[M]+ 262.13119142 159.2
[M]- 262.13228858 159.2
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.