CID 3040086

N-(2-hexyl-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula
C23H25NO2
SMILES
CCCCCCC1=C(C2=CC=CC=C2C=C1)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C23H25NO2/c1-2-3-4-5-11-18-16-15-17-10-6-7-12-19(17)22(18)24-21-14-9-8-13-20(21)23(25)26/h6-10,12-16,24H,2-5,11H2,1H3,(H,25,26)
InChIKey
JWWAFPLDFJVXBQ-UHFFFAOYSA-N
Compound name
2-[(2-hexylnaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.18854 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.19582 185.5
[M+Na]+ 370.17776 190.7
[M-H]- 346.18126 191.0
[M+NH4]+ 365.22236 198.5
[M+K]+ 386.15170 184.4
[M+H-H2O]+ 330.18580 176.5
[M+HCOO]- 392.18674 205.5
[M+CH3COO]- 406.20239 216.7
[M+Na-2H]- 368.16321 188.5
[M]+ 347.18799 186.4
[M]- 347.18909 186.4
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