CID 717923

2-(benzoylamino)-4,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C16H15NO5
SMILES
COC1=C(C=C(C(=C1)C(=O)O)NC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C16H15NO5/c1-21-13-8-11(16(19)20)12(9-14(13)22-2)17-15(18)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKey
OJVAHJWDGCQYKM-UHFFFAOYSA-N
Compound name
2-benzamido-4,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

301.09503 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 166.4
[M+Na]+ 324.08425 173.0
[M-H]- 300.08775 172.2
[M+NH4]+ 319.12885 180.2
[M+K]+ 340.05819 170.9
[M+H-H2O]+ 284.09229 158.4
[M+HCOO]- 346.09323 189.0
[M+CH3COO]- 360.10888 204.1
[M+Na-2H]- 322.06970 168.9
[M]+ 301.09448 169.2
[M]- 301.09558 169.2
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