CID 207504

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

Structural Information

Molecular Formula
C25H27NO2
SMILES
CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OC3=C(C=CC(=C3)C(C)C)C)C
InChI
InChI=1S/C25H27NO2/c1-16(2)20-14-13-18(4)24(15-20)28-25(27)21-10-6-7-11-23(21)26-22-12-8-9-17(3)19(22)5/h6-16,26H,1-5H3
InChIKey
IOCWIDDMOJZISX-UHFFFAOYSA-N
Compound name
(2-methyl-5-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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21148 194.8
[M+Na]+ 396.19342 210.5
[M+NH4]+ 391.23802 202.7
[M+K]+ 412.16736 201.5
[M-H]- 372.19692 202.4
[M+Na-2H]- 394.17887 204.6
[M]+ 373.20365 199.5
[M]- 373.20475 199.5
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