CID 461735

178869-95-9

Structural Information

Molecular Formula
C18H18ClNO4
SMILES
CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C3CC3
InChI
InChI=1S/C18H18ClNO4/c1-10(12-3-4-12)24-18(22)15-9-13(5-6-16(15)19)20-17(21)14-7-8-23-11(14)2/h5-10,12H,3-4H2,1-2H3,(H,20,21)
InChIKey
HBGKPUISHSIPDD-UHFFFAOYSA-N
Compound name
1-cyclopropylethyl 2-chloro-5-[(2-methylfuran-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.09244 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09972 173.0
[M+Na]+ 370.08166 181.6
[M-H]- 346.08516 184.2
[M+NH4]+ 365.12626 182.6
[M+K]+ 386.05560 177.7
[M+H-H2O]+ 330.08970 166.7
[M+HCOO]- 392.09064 191.0
[M+CH3COO]- 406.10629 214.5
[M+Na-2H]- 368.06711 172.8
[M]+ 347.09189 181.1
[M]- 347.09299 181.1
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.