CID 3062928

N-hexyl-3,4,5-trihydroxybenzamide

Structural Information

Molecular Formula
C13H19NO4
SMILES
CCCCCCNC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C13H19NO4/c1-2-3-4-5-6-14-13(18)9-7-10(15)12(17)11(16)8-9/h7-8,15-17H,2-6H2,1H3,(H,14,18)
InChIKey
YCWCKSIMYUUPKS-UHFFFAOYSA-N
Compound name
N-hexyl-3,4,5-trihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

253.13141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13869 158.3
[M+Na]+ 276.12063 164.3
[M-H]- 252.12413 157.9
[M+NH4]+ 271.16523 173.4
[M+K]+ 292.09457 161.0
[M+H-H2O]+ 236.12867 152.1
[M+HCOO]- 298.12961 178.0
[M+CH3COO]- 312.14526 192.2
[M+Na-2H]- 274.10608 159.8
[M]+ 253.13086 158.7
[M]- 253.13196 158.7
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