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]+ 269.10515 163.4
[M+Na]+ 291.08709 169.2
[M-H]- 267.09059 170.3
[M+NH4]+ 286.13169 180.5
[M+K]+ 307.06103 165.9
[M+H-H2O]+ 251.09513 156.9
[M+HCOO]- 313.09607 182.0
[M+CH3COO]- 327.11172 198.3
[M+Na-2H]- 289.07254 165.8
[M]+ 268.09732 163.4
[M]- 268.09842 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.