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

593
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

literature stripe

Patent stripe

patents stripe