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

1
Patents

255.11067 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11795 155.1
[M+Na]+ 278.09989 162.3
[M-H]- 254.10339 157.7
[M+NH4]+ 273.14449 171.5
[M+K]+ 294.07383 161.5
[M+H-H2O]+ 238.10793 148.4
[M+HCOO]- 300.10887 178.4
[M+CH3COO]- 314.12452 196.1
[M+Na-2H]- 276.08534 158.3
[M]+ 255.11012 160.4
[M]- 255.11122 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.