CID 3023518

94094-54-9

Structural Information

Molecular Formula
C18H15NO5
SMILES
CC(=O)NC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C18H15NO5/c1-11(20)19-14-7-9-17(22)15(10-14)16(21)8-4-12-2-5-13(6-3-12)18(23)24/h2-10,22H,1H3,(H,19,20)(H,23,24)
InChIKey
PXFJWEXRMWNDBT-UHFFFAOYSA-N
Compound name
4-[3-(5-acetamido-2-hydroxyphenyl)-3-oxoprop-1-enyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09503 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 173.5
[M+Na]+ 348.08425 179.2
[M-H]- 324.08775 177.7
[M+NH4]+ 343.12885 185.4
[M+K]+ 364.05819 175.3
[M+H-H2O]+ 308.09229 165.8
[M+HCOO]- 370.09323 193.3
[M+CH3COO]- 384.10888 206.7
[M+Na-2H]- 346.06970 173.4
[M]+ 325.09448 173.1
[M]- 325.09558 173.1
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.