CID 461728

178869-92-6

Structural Information

Molecular Formula
C17H16ClNO4
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OCC(=C)C
InChI
InChI=1S/C17H16ClNO4/c1-10(2)9-23-17(21)14-8-12(4-5-15(14)18)19-16(20)13-6-7-22-11(13)3/h4-8H,1,9H2,2-3H3,(H,19,20)
InChIKey
IIBHIDFKZHCKDU-UHFFFAOYSA-N
Compound name
2-methylprop-2-enyl 2-chloro-5-[(2-methylfuran-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.07678 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08406 177.7
[M+Na]+ 356.06600 185.5
[M-H]- 332.06950 185.6
[M+NH4]+ 351.11060 192.6
[M+K]+ 372.03994 182.2
[M+H-H2O]+ 316.07404 171.5
[M+HCOO]- 378.07498 195.8
[M+CH3COO]- 392.09063 210.3
[M+Na-2H]- 354.05145 176.8
[M]+ 333.07623 183.6
[M]- 333.07733 183.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.