CID 58444

101491-68-3

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₂

SMILES

CCN(CC)CCNC(=O)OCCC1=CC=CC=C1

InChI

InChI=1S/C15H24N2O2/c1-3-17(4-2)12-11-16-15(18)19-13-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,16,18)

InChIKey

NCWXNYLAYSHIRE-UHFFFAOYSA-N

Compound name

2-phenylethyl N-[2-(diethylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.18378 Da
Monoisotopic Mass: 2.7
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]+	265.191056	165.9
[M+Na]+	287.172998	169.1
[M-H]-	263.176504	169.7
[M+NH4]+	282.217603	182.3
[M+K]+	303.146938	168.0
[M+H-H2O]+	247.181040	157.7
[M+HCOO]-	309.181981	190.6
[M+CH3COO]-	323.197631	205.4
[M+Na-2H]-	285.158446	169.3
[M]+	264.18323142	169.0
[M]-	264.18432858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe