CID 116137

63992-46-1

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)C1=CC(=C(C(=C1)C(=O)NCCO)O)C(C)C
InChI
InChI=1S/C15H23NO3/c1-9(2)11-7-12(10(3)4)14(18)13(8-11)15(19)16-5-6-17/h7-10,17-18H,5-6H2,1-4H3,(H,16,19)
InChIKey
ICFXSIAFGXAWNF-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.4
[M+Na]+ 288.15702 169.7
[M-H]- 264.16052 165.4
[M+NH4]+ 283.20162 179.8
[M+K]+ 304.13096 167.3
[M+H-H2O]+ 248.16506 158.4
[M+HCOO]- 310.16600 182.8
[M+CH3COO]- 324.18165 200.2
[M+Na-2H]- 286.14247 162.9
[M]+ 265.16725 164.8
[M]- 265.16835 164.8
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.