CID 364228

Nsc630079

Structural Information

Molecular Formula
C14H15NO4
SMILES
CC12CC(C(C(=O)N1)C(=O)OC)C3=CC=CC=C3O2
InChI
InChI=1S/C14H15NO4/c1-14-7-9(8-5-3-4-6-10(8)19-14)11(12(16)15-14)13(17)18-2/h3-6,9,11H,7H2,1-2H3,(H,15,16)
InChIKey
BROGKWPVKZILGE-UHFFFAOYSA-N
Compound name
methyl 9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1001 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10738 156.3
[M+Na]+ 284.08932 164.1
[M-H]- 260.09282 157.9
[M+NH4]+ 279.13392 174.3
[M+K]+ 300.06326 162.0
[M+H-H2O]+ 244.09736 149.6
[M+HCOO]- 306.09830 169.1
[M+CH3COO]- 320.11395 194.6
[M+Na-2H]- 282.07477 163.5
[M]+ 261.09955 156.2
[M]- 261.10065 156.2
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.