CID 3025293

102433-68-1

Structural Information

Molecular Formula

C₁₃H₁₇ClN₂O

SMILES

C1CCC2=C(C1)C=CC=C2NC(=O)NCCCl

InChI

InChI=1S/C13H17ClN2O/c14-8-9-15-13(17)16-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9H2,(H2,15,16,17)

InChIKey

JCPNMNMCKYEXRY-UHFFFAOYSA-N

Compound name

1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 252.10294 Da
Monoisotopic Mass: 2.9
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]+	253.110216	155.8
[M+Na]+	275.092158	161.0
[M-H]-	251.095664	159.2
[M+NH4]+	270.136763	174.1
[M+K]+	291.066098	156.2
[M+H-H2O]+	235.100200	149.8
[M+HCOO]-	297.101141	173.0
[M+CH3COO]-	311.116791	196.9
[M+Na-2H]-	273.077606	161.4
[M]+	252.10239142	154.1
[M]-	252.10348858	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.