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]+ 315.102556 172.0
[M+Na]+ 337.084498 176.9
[M-H]- 313.088004 175.6
[M+NH4]+ 332.129103 188.8
[M+K]+ 353.058438 171.6
[M+H-H2O]+ 297.092540 166.1
[M+HCOO]- 359.093481 183.9
[M+CH3COO]- 373.109131 210.5
[M+Na-2H]- 335.069946 174.9
[M]+ 314.09473142 173.6
[M]- 314.09582858 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.