CID 91662960

1-[1-(benzyloxy)-2-methylpropan-2-yl]-3-(2-chloroethyl)urea

Structural Information

Molecular Formula
C14H21ClN2O2
SMILES
CC(C)(COCC1=CC=CC=C1)NC(=O)NCCCl
InChI
InChI=1S/C14H21ClN2O2/c1-14(2,17-13(18)16-9-8-15)11-19-10-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H2,16,17,18)
InChIKey
CNARJEGMJJOOCR-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-methyl-1-phenylmethoxypropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13643 167.3
[M+Na]+ 307.11837 176.9
[M+NH4]+ 302.16297 174.1
[M+K]+ 323.09231 170.5
[M-H]- 283.12187 168.8
[M+Na-2H]- 305.10382 172.6
[M]+ 284.12860 169.1
[M]- 284.12970 169.1
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.