CID 223244

3780-30-1

Structural Information

Molecular Formula
C14H11NO5
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2OC(=N3)C)OC(=O)C
InChI
InChI=1S/C14H11NO5/c1-6-10(19-8(3)16)5-4-9-12(6)20-14(17)11-13(9)18-7(2)15-11/h4-5H,1-3H3
InChIKey
CTAIFNZTKKTCLN-UHFFFAOYSA-N
Compound name
(2,6-dimethyl-4-oxochromeno[3,4-d][1,3]oxazol-7-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.06372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07100 156.1
[M+Na]+ 296.05294 169.8
[M-H]- 272.05644 163.7
[M+NH4]+ 291.09754 173.3
[M+K]+ 312.02688 169.2
[M+H-H2O]+ 256.06098 150.1
[M+HCOO]- 318.06192 177.9
[M+CH3COO]- 332.07757 199.4
[M+Na-2H]- 294.03839 162.9
[M]+ 273.06317 166.4
[M]- 273.06427 166.4
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.