CID 3040084

N-(4-butyl-1-naphthyl)anthranilic acid

Structural Information

Molecular Formula
C21H21NO2
SMILES
CCCCC1=CC=C(C2=CC=CC=C12)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C21H21NO2/c1-2-3-8-15-13-14-20(17-10-5-4-9-16(15)17)22-19-12-7-6-11-18(19)21(23)24/h4-7,9-14,22H,2-3,8H2,1H3,(H,23,24)
InChIKey
OWFZFQWNXRQDIO-UHFFFAOYSA-N
Compound name
2-[(4-butylnaphthalen-1-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.15723 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 176.4
[M+Na]+ 342.14645 182.5
[M-H]- 318.14995 182.3
[M+NH4]+ 337.19105 190.5
[M+K]+ 358.12039 176.6
[M+H-H2O]+ 302.15449 167.8
[M+HCOO]- 364.15543 197.1
[M+CH3COO]- 378.17108 210.8
[M+Na-2H]- 340.13190 180.5
[M]+ 319.15668 176.6
[M]- 319.15778 176.6
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

No patent data available for this compound.