CID 95970

N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C12H17NO5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NCCO
InChI
InChI=1S/C12H17NO5/c1-16-9-6-8(12(15)13-4-5-14)7-10(17-2)11(9)18-3/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKey
ALIIDDHRSSHZEV-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.117946 155.1
[M+Na]+ 278.099888 162.3
[M-H]- 254.103394 157.7
[M+NH4]+ 273.144493 171.5
[M+K]+ 294.073828 161.5
[M+H-H2O]+ 238.107930 148.4
[M+HCOO]- 300.108871 178.4
[M+CH3COO]- 314.124521 196.1
[M+Na-2H]- 276.085336 158.3
[M]+ 255.11012142 160.4
[M]- 255.11121858 160.4
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

No patent data available for this compound.