CID 507333

Isopropyl 2-chloro-5-(cyclohexoxycarbonylamino)benzoate

Structural Information

Molecular Formula
C17H22ClNO4
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)OC2CCCCC2)Cl
InChI
InChI=1S/C17H22ClNO4/c1-11(2)22-16(20)14-10-12(8-9-15(14)18)19-17(21)23-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,19,21)
InChIKey
NGSIOKQPHFMHHX-UHFFFAOYSA-N
Compound name
propan-2-yl 2-chloro-5-(cyclohexyloxycarbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12375 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13103 177.8
[M+Na]+ 362.11297 181.5
[M-H]- 338.11647 183.4
[M+NH4]+ 357.15757 191.5
[M+K]+ 378.08691 178.5
[M+H-H2O]+ 322.12101 170.9
[M+HCOO]- 384.12195 191.8
[M+CH3COO]- 398.13760 210.3
[M+Na-2H]- 360.09842 176.6
[M]+ 339.12320 178.5
[M]- 339.12430 178.5
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

No patent data available for this compound.