CID 192421

Isodecyl 5-hydroxyanthranilate

Structural Information

Molecular Formula
C17H27NO3
SMILES
CC(C)CCCCCCCOC(=O)C1=C(C=CC(=C1)O)N
InChI
InChI=1S/C17H27NO3/c1-13(2)8-6-4-3-5-7-11-21-17(20)15-12-14(19)9-10-16(15)18/h9-10,12-13,19H,3-8,11,18H2,1-2H3
InChIKey
WQDDSULPVSBTBO-UHFFFAOYSA-N
Compound name
8-methylnonyl 2-amino-5-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
Patents

293.1991 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 173.4
[M+Na]+ 316.18832 182.3
[M+NH4]+ 311.23292 179.0
[M+K]+ 332.16226 176.7
[M-H]- 292.19182 173.9
[M+Na-2H]- 314.17377 175.9
[M]+ 293.19855 174.4
[M]- 293.19965 174.4
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