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 181.1
[M+Na]+ 392.07406 190.8
[M-H]- 368.07756 186.9
[M+NH4]+ 387.11866 192.1
[M+K]+ 408.04800 187.8
[M+H-H2O]+ 352.08210 173.4
[M+HCOO]- 414.08304 200.3
[M+CH3COO]- 428.09869 211.8
[M+Na-2H]- 390.05951 182.4
[M]+ 369.08429 188.2
[M]- 369.08539 188.2
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.