CID 293494

102433-69-2

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C1CCC2=C(C1)C=CC=C2CNC(=O)NCCCl
InChI
InChI=1S/C14H19ClN2O/c15-8-9-16-14(18)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h3,5-6H,1-2,4,7-10H2,(H2,16,17,18)
InChIKey
BBGIGWDOUADQDN-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 160.4
[M+Na]+ 289.10782 165.2
[M-H]- 265.11132 163.5
[M+NH4]+ 284.15242 178.1
[M+K]+ 305.08176 160.1
[M+H-H2O]+ 249.11586 154.2
[M+HCOO]- 311.11680 177.2
[M+CH3COO]- 325.13245 199.9
[M+Na-2H]- 287.09327 165.5
[M]+ 266.11805 159.1
[M]- 266.11915 159.1
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.