CID 3079351

Md 280449

Structural Information

Molecular Formula
C14H17NO4
SMILES
COC[C@@H]1[C@@H]2CCC3=C(N2C(=O)O1)C=CC(=C3)OC
InChI
InChI=1S/C14H17NO4/c1-17-8-13-12-5-3-9-7-10(18-2)4-6-11(9)15(12)14(16)19-13/h4,6-7,12-13H,3,5,8H2,1-2H3/t12-,13+/m0/s1
InChIKey
JNNWJURMKZWTMU-QWHCGFSZSA-N
Compound name
(3S,3aS)-7-methoxy-3-(methoxymethyl)-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

263.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 157.2
[M+Na]+ 286.10497 165.7
[M-H]- 262.10847 161.8
[M+NH4]+ 281.14957 175.4
[M+K]+ 302.07891 164.2
[M+H-H2O]+ 246.11301 150.6
[M+HCOO]- 308.11395 174.8
[M+CH3COO]- 322.12960 197.3
[M+Na-2H]- 284.09042 161.4
[M]+ 263.11520 160.5
[M]- 263.11630 160.5
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.