CID 3063198

100079-24-1

Structural Information

Molecular Formula
C15H23NO4
SMILES
CCCCCCCCNC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C15H23NO4/c1-2-3-4-5-6-7-8-16-15(20)11-9-12(17)14(19)13(18)10-11/h9-10,17-19H,2-8H2,1H3,(H,16,20)
InChIKey
QJLCSFQWKBLNGJ-UHFFFAOYSA-N
Compound name
3,4,5-trihydroxy-N-octylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

281.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 167.2
[M+Na]+ 304.151938 172.4
[M-H]- 280.155444 166.5
[M+NH4]+ 299.196543 181.2
[M+K]+ 320.125878 168.6
[M+H-H2O]+ 264.159980 160.7
[M+HCOO]- 326.160921 186.2
[M+CH3COO]- 340.176571 198.2
[M+Na-2H]- 302.137386 167.7
[M]+ 281.16217142 168.4
[M]- 281.16326858 168.4
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