CID 110070

68368-33-2

Structural Information

Molecular Formula

C₁₅H₂₃NO₃

SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCO)CCO

InChI

InChI=1S/C15H23NO3/c1-15(2,3)13-6-4-12(5-7-13)14(19)16(8-10-17)9-11-18/h4-7,17-18H,8-11H2,1-3H3

InChIKey

MOXXEYNPPNSCTN-UHFFFAOYSA-N

Compound name

4-tert-butyl-N,N-bis(2-hydroxyethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 265.1678 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.17508	164.4
[M+Na]+	288.15702	169.1
[M-H]-	264.16052	166.3
[M+NH4]+	283.20162	180.2
[M+K]+	304.13096	167.4
[M+H-H2O]+	248.16506	158.2
[M+HCOO]-	310.16600	183.9
[M+CH3COO]-	324.18165	198.9
[M+Na-2H]-	286.14247	166.9
[M]+	265.16725	166.0
[M]-	265.16835	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe