CID 71916

Alibendol

Structural Information

Molecular Formula
C13H17NO4
SMILES
COC1=CC(=CC(=C1O)C(=O)NCCO)CC=C
InChI
InChI=1S/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)
InChIKey
UMJHTFHIQDEGKB-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

789
Patents

251.11575 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 157.7
[M+Na]+ 274.10497 167.4
[M+NH4]+ 269.14957 163.0
[M+K]+ 290.07891 162.7
[M-H]- 250.10847 157.4
[M+Na-2H]- 272.09042 160.7
[M]+ 251.11520 158.5
[M]- 251.11630 158.5
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