CID 54973

Bl 225

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₄

SMILES

CCOC(=O)NC1=CC=CC=C1OCC(CNC(C)(C)C)O

InChI

InChI=1S/C16H26N2O4/c1-5-21-15(20)18-13-8-6-7-9-14(13)22-11-12(19)10-17-16(2,3)4/h6-9,12,17,19H,5,10-11H2,1-4H3,(H,18,20)

InChIKey

UIPUYVOOQFEDLV-UHFFFAOYSA-N

Compound name

ethyl N-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.18927 Da
Monoisotopic Mass: 2.3
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]+	311.196546	175.6
[M+Na]+	333.178488	178.8
[M-H]-	309.181994	177.1
[M+NH4]+	328.223093	189.1
[M+K]+	349.152428	177.6
[M+H-H2O]+	293.186530	168.4
[M+HCOO]-	355.187471	195.9
[M+CH3COO]-	369.203121	208.6
[M+Na-2H]-	331.163936	178.1
[M]+	310.18872142	178.0
[M]-	310.18981858	178.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.