CID 75186111

900308-84-1

Structural Information

Molecular Formula
C18H16ClNO4
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)C(=O)C=C(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C18H16ClNO4/c1-11-6-7-13(19)9-15(11)20-18(23)17(22)10-16(21)12-4-3-5-14(8-12)24-2/h3-10,21H,1-2H3,(H,20,23)
InChIKey
ARTVILCEXNCVIN-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-4-hydroxy-4-(3-methoxyphenyl)-2-oxobut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.07678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08406 177.3
[M+Na]+ 368.06600 184.2
[M-H]- 344.06950 182.8
[M+NH4]+ 363.11060 190.3
[M+K]+ 384.03994 179.2
[M+H-H2O]+ 328.07404 170.5
[M+HCOO]- 390.07498 193.9
[M+CH3COO]- 404.09063 211.0
[M+Na-2H]- 366.05145 177.2
[M]+ 345.07623 180.5
[M]- 345.07733 180.5
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

patents stripe