CID 3063198

3,4,5-trihydroxy-n-octylbenzamide

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

8
Patents

281.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 167.8
[M+Na]+ 304.15194 176.5
[M+NH4]+ 299.19654 172.6
[M+K]+ 320.12588 171.7
[M-H]- 280.15544 167.2
[M+Na-2H]- 302.13739 169.7
[M]+ 281.16217 168.4
[M]- 281.16327 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