CID 3007387

108664-26-2

Structural Information

Molecular Formula
C16H13NO4
SMILES
C=C(C(=O)C1=CC=C(C=C1)CC(=O)O)N2C=CC=CC2=O
InChI
InChI=1S/C16H13NO4/c1-11(17-9-3-2-4-14(17)18)16(21)13-7-5-12(6-8-13)10-15(19)20/h2-9H,1,10H2,(H,19,20)
InChIKey
MUZCUTGMJWJYOE-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-oxopyridin-1-yl)prop-2-enoyl]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08447 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 161.2
[M+Na]+ 306.07369 168.2
[M-H]- 282.07719 165.4
[M+NH4]+ 301.11829 174.2
[M+K]+ 322.04763 164.4
[M+H-H2O]+ 266.08173 153.0
[M+HCOO]- 328.08267 180.6
[M+CH3COO]- 342.09832 198.3
[M+Na-2H]- 304.05914 162.9
[M]+ 283.08392 161.4
[M]- 283.08502 161.4
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.