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 193.6
[M+Na]+ 396.19342 199.9
[M-H]- 372.19692 203.5
[M+NH4]+ 391.23802 205.5
[M+K]+ 412.16736 195.0
[M+H-H2O]+ 356.20146 183.8
[M+HCOO]- 418.20240 215.0
[M+CH3COO]- 432.21805 226.0
[M+Na-2H]- 394.17887 192.6
[M]+ 373.20365 195.9
[M]- 373.20475 195.9
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