CID 571084

Benzoximate

Structural Information

Molecular Formula
C18H18ClNO5
SMILES
CCON=C(C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H18ClNO5/c1-4-24-20-17(25-18(21)12-8-6-5-7-9-12)15-14(22-2)11-10-13(19)16(15)23-3/h5-11H,4H2,1-3H3
InChIKey
BZMIHNKNQJJVRO-UHFFFAOYSA-N
Compound name
[C-(3-chloro-2,6-dimethoxyphenyl)-N-ethoxycarbonimidoyl] benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2709
Patents

363.08734 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09462 181.1
[M+Na]+ 386.07656 194.5
[M+NH4]+ 381.12116 187.6
[M+K]+ 402.05050 187.8
[M-H]- 362.08006 184.6
[M+Na-2H]- 384.06201 188.4
[M]+ 363.08679 184.2
[M]- 363.08789 184.2
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

patents stripe