CID 6446139

Jpb 56

Structural Information

Molecular Formula
C19H15NO7
SMILES
COC1=C(C(=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)NC(=O)O3)C(=O)O)OC
InChI
InChI=1S/C19H15NO7/c1-25-14-8-5-10(16(18(22)23)17(14)26-2)4-7-13(21)11-3-6-12-15(9-11)27-19(24)20-12/h3-9H,1-2H3,(H,20,24)(H,22,23)/b7-4+
InChIKey
KJIAQWWHZGNWPO-QPJJXVBHSA-N
Compound name
2,3-dimethoxy-6-[(E)-3-oxo-3-(2-oxo-3H-1,3-benzoxazol-6-yl)prop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08484 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.09212 182.4
[M+Na]+ 392.07406 195.0
[M+NH4]+ 387.11866 186.1
[M+K]+ 408.04800 193.1
[M-H]- 368.07756 183.7
[M+Na-2H]- 390.05951 185.6
[M]+ 369.08429 184.2
[M]- 369.08539 184.2
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.