CID 4157220

N-octanoylanthranilate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCCCCCCC(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C15H21NO3/c1-2-3-4-5-6-11-14(17)16-13-10-8-7-9-12(13)15(18)19/h7-10H,2-6,11H2,1H3,(H,16,17)(H,18,19)
InChIKey
DIBJPKPIMHBNDD-UHFFFAOYSA-N
Compound name
2-(octanoylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

28
Patents

263.15213 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 163.6
[M+Na]+ 286.14135 168.0
[M-H]- 262.14485 165.0
[M+NH4]+ 281.18595 179.1
[M+K]+ 302.11529 165.0
[M+H-H2O]+ 246.14939 156.6
[M+HCOO]- 308.15033 184.7
[M+CH3COO]- 322.16598 198.3
[M+Na-2H]- 284.12680 165.1
[M]+ 263.15158 164.9
[M]- 263.15268 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe