CID 205080

Anthranilic acid, n-(p-butylphenyl)-

Structural Information

Molecular Formula
C17H19NO2
SMILES
CCCCC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H19NO2/c1-2-3-6-13-9-11-14(12-10-13)18-16-8-5-4-7-15(16)17(19)20/h4-5,7-12,18H,2-3,6H2,1H3,(H,19,20)
InChIKey
YUOMTVZNEZTSIA-UHFFFAOYSA-N
Compound name
2-(4-butylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.14157 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14885 163.3
[M+Na]+ 292.13079 169.0
[M-H]- 268.13429 168.4
[M+NH4]+ 287.17539 178.5
[M+K]+ 308.10473 164.5
[M+H-H2O]+ 252.13883 155.5
[M+HCOO]- 314.13977 185.8
[M+CH3COO]- 328.15542 199.8
[M+Na-2H]- 290.11624 167.0
[M]+ 269.14102 163.1
[M]- 269.14212 163.1
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