CID 3023498

N-(2-hydroxyethyl)-5-isobutyl-3-methoxysalicylamide

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)CC1=CC(=C(C(=C1)OC)O)C(=O)NCCO
InChI
InChI=1S/C14H21NO4/c1-9(2)6-10-7-11(14(18)15-4-5-16)13(17)12(8-10)19-3/h7-9,16-17H,4-6H2,1-3H3,(H,15,18)
InChIKey
DDAWESDWNNSGLI-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.14706 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 162.6
[M+Na]+ 290.136278 168.4
[M-H]- 266.139784 163.6
[M+NH4]+ 285.180883 177.9
[M+K]+ 306.110218 166.3
[M+H-H2O]+ 250.144320 156.2
[M+HCOO]- 312.145261 182.5
[M+CH3COO]- 326.160911 198.4
[M+Na-2H]- 288.121726 162.9
[M]+ 267.14651142 164.7
[M]- 267.14760858 164.7
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.