CID 5744395

Urea, 1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphth-1-yl)-

Structural Information

Molecular Formula
C15H20Cl2N2O
SMILES
C1CCC2=C(C1)C=CC=C2NC(=O)N(CCCl)CCCl
InChI
InChI=1S/C15H20Cl2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h3,5,7H,1-2,4,6,8-11H2,(H,18,20)
InChIKey
QMBHQQVGEMWMEF-UHFFFAOYSA-N
Compound name
1,1-bis(2-chloroethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09528 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10256 170.1
[M+Na]+ 337.08450 181.6
[M+NH4]+ 332.12910 179.0
[M+K]+ 353.05844 173.1
[M-H]- 313.08800 173.7
[M+Na-2H]- 335.06995 175.5
[M]+ 314.09473 173.2
[M]- 314.09583 173.2
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.