CID 293505

102433-58-9

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CN(C1=CC=CC2=C1CCCC2)C(=O)NCCCl
InChI
InChI=1S/C14H19ClN2O/c1-17(14(18)16-10-9-15)13-8-4-6-11-5-2-3-7-12(11)13/h4,6,8H,2-3,5,7,9-10H2,1H3,(H,16,18)
InChIKey
XWGYFHSQNGNYAJ-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)-1-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 160.0
[M+Na]+ 289.10782 171.3
[M+NH4]+ 284.15242 169.2
[M+K]+ 305.08176 163.6
[M-H]- 265.11132 164.0
[M+Na-2H]- 287.09327 165.8
[M]+ 266.11805 162.9
[M]- 266.11915 162.9
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.