CID 507332

Isopropyl 2-chloro-5-[(2-methoxyphenyl)carbamoylamino]benzoate

Structural Information

Molecular Formula
C18H19ClN2O4
SMILES
CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2OC)Cl
InChI
InChI=1S/C18H19ClN2O4/c1-11(2)25-17(22)13-10-12(8-9-14(13)19)20-18(23)21-15-6-4-5-7-16(15)24-3/h4-11H,1-3H3,(H2,20,21,23)
InChIKey
YKZMDULVPPBAGX-UHFFFAOYSA-N
Compound name
propan-2-yl 2-chloro-5-[(2-methoxyphenyl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.10333 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11061 183.3
[M+Na]+ 385.09255 189.5
[M-H]- 361.09605 190.2
[M+NH4]+ 380.13715 196.1
[M+K]+ 401.06649 186.0
[M+H-H2O]+ 345.10059 175.7
[M+HCOO]- 407.10153 202.2
[M+CH3COO]- 421.11718 218.6
[M+Na-2H]- 383.07800 184.0
[M]+ 362.10278 188.2
[M]- 362.10388 188.2
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.