CID 466509

165549-71-3

Structural Information

Molecular Formula
C15H18ClNO4
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)OCC2CC2)Cl
InChI
InChI=1S/C15H18ClNO4/c1-9(2)21-14(18)12-7-11(5-6-13(12)16)17-15(19)20-8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,17,19)
InChIKey
JBVFZJONZZQAEB-UHFFFAOYSA-N
Compound name
propan-2-yl 2-chloro-5-(cyclopropylmethoxycarbonylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.09244 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09972 164.7
[M+Na]+ 334.08166 172.7
[M-H]- 310.08516 172.0
[M+NH4]+ 329.12626 175.5
[M+K]+ 350.05560 168.5
[M+H-H2O]+ 294.08970 158.5
[M+HCOO]- 356.09064 182.8
[M+CH3COO]- 370.10629 208.1
[M+Na-2H]- 332.06711 165.7
[M]+ 311.09189 172.4
[M]- 311.09299 172.4
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.