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 172.0
[M+Na]+ 337.08450 176.9
[M-H]- 313.08800 175.6
[M+NH4]+ 332.12910 188.8
[M+K]+ 353.05844 171.6
[M+H-H2O]+ 297.09254 166.1
[M+HCOO]- 359.09348 183.9
[M+CH3COO]- 373.10913 210.5
[M+Na-2H]- 335.06995 174.9
[M]+ 314.09473 173.6
[M]- 314.09583 173.6
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.