CID 3063198

N-octyl-3,4,5-trihydroxybenzamide

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

14
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 167.2
[M+Na]+ 304.15194 172.4
[M-H]- 280.15544 166.5
[M+NH4]+ 299.19654 181.2
[M+K]+ 320.12588 168.6
[M+H-H2O]+ 264.15998 160.7
[M+HCOO]- 326.16092 186.2
[M+CH3COO]- 340.17657 198.2
[M+Na-2H]- 302.13739 167.7
[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