CID 209909

Anthranilic acid, n-2,3-xylyl-, o-methoxyphenyl ester

Structural Information

Molecular Formula
C22H21NO3
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OC3=CC=CC=C3OC)C
InChI
InChI=1S/C22H21NO3/c1-15-9-8-12-18(16(15)2)23-19-11-5-4-10-17(19)22(24)26-21-14-7-6-13-20(21)25-3/h4-14,23H,1-3H3
InChIKey
QAVPLSMHPGKHQO-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-(2,3-dimethylanilino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

347.15213 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 183.8
[M+Na]+ 370.14135 190.6
[M-H]- 346.14485 193.8
[M+NH4]+ 365.18595 196.4
[M+K]+ 386.11529 186.3
[M+H-H2O]+ 330.14939 173.9
[M+HCOO]- 392.15033 207.4
[M+CH3COO]- 406.16598 217.1
[M+Na-2H]- 368.12680 186.2
[M]+ 347.15158 186.5
[M]- 347.15268 186.5
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