CID 209910

Anthranilic acid, n-2,3-xylyl-, thymyl ester

Structural Information

Molecular Formula

C₂₅H₂₇NO₂

SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3C)C

InChI

InChI=1S/C25H27NO2/c1-16(2)20-14-13-17(3)15-24(20)28-25(27)21-10-6-7-11-23(21)26-22-12-8-9-18(4)19(22)5/h6-16,26H,1-5H3

InChIKey

NDNGOGWAXNHSCK-UHFFFAOYSA-N

Compound name

(5-methyl-2-propan-2-ylphenyl) 2-(2,3-dimethylanilino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 373.2042 Da
Monoisotopic Mass: 8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	374.211476	193.6
[M+Na]+	396.193418	199.9
[M-H]-	372.196924	203.5
[M+NH4]+	391.238023	205.5
[M+K]+	412.167358	195.0
[M+H-H2O]+	356.201460	183.8
[M+HCOO]-	418.202401	215.0
[M+CH3COO]-	432.218051	226.0
[M+Na-2H]-	394.178866	192.6
[M]+	373.20365142	195.9
[M]-	373.20474858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe