CID 293456

1-(1-(chloromethyl)propyl)-3-(5,6,7,8-tetrahydro-1-naphthyl)urea

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CCC(CCl)NC(=O)NC1=CC=CC2=C1CCCC2
InChI
InChI=1S/C15H21ClN2O/c1-2-12(10-16)17-15(19)18-14-9-5-7-11-6-3-4-8-13(11)14/h5,7,9,12H,2-4,6,8,10H2,1H3,(H2,17,18,19)
InChIKey
ZXKURNTUXBXFMG-UHFFFAOYSA-N
Compound name
1-(1-chlorobutan-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 164.8
[M+Na]+ 303.12347 175.3
[M+NH4]+ 298.16807 173.4
[M+K]+ 319.09741 167.7
[M-H]- 279.12697 168.2
[M+Na-2H]- 301.10892 169.7
[M]+ 280.13370 167.3
[M]- 280.13480 167.3
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.