CID 6468671

853319-28-5

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NCC2CCCO2)Cl
InChI
InChI=1S/C13H17ClN2O2/c1-9-4-5-10(7-12(9)14)16-13(17)15-8-11-3-2-6-18-11/h4-5,7,11H,2-3,6,8H2,1H3,(H2,15,16,17)
InChIKey
ZEJHYWMAFAYCHH-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-(oxolan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.105146 163.4
[M+Na]+ 291.087088 169.2
[M-H]- 267.090594 170.3
[M+NH4]+ 286.131693 180.5
[M+K]+ 307.061028 165.9
[M+H-H2O]+ 251.095130 156.9
[M+HCOO]- 313.096071 182.0
[M+CH3COO]- 327.111721 198.3
[M+Na-2H]- 289.072536 165.8
[M]+ 268.09732142 163.4
[M]- 268.09841858 163.4
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.