CID 34475

Benzoxamate

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1
References

462
Patents

363.08734 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.09462 180.7
[M+Na]+ 386.07656 188.2
[M-H]- 362.08006 189.1
[M+NH4]+ 381.12116 194.6
[M+K]+ 402.05050 186.1
[M+H-H2O]+ 346.08460 173.0
[M+HCOO]- 408.08554 200.3
[M+CH3COO]- 422.10119 217.9
[M+Na-2H]- 384.06201 181.7
[M]+ 363.08679 189.7
[M]- 363.08789 189.7
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

patents stripe