CID 3593172

1-(4-chloro-2-methylphenyl)-3-cyclopropylurea

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)NC2CC2
InChI
InChI=1S/C11H13ClN2O/c1-7-6-8(12)2-5-10(7)14-11(15)13-9-3-4-9/h2,5-6,9H,3-4H2,1H3,(H2,13,14,15)
InChIKey
VSPKJIBVHRHJOB-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylphenyl)-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

224.07164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 143.4
[M+Na]+ 247.060858 152.7
[M-H]- 223.064364 151.0
[M+NH4]+ 242.105463 157.5
[M+K]+ 263.034798 147.6
[M+H-H2O]+ 207.068900 137.6
[M+HCOO]- 269.069841 164.9
[M+CH3COO]- 283.085491 195.2
[M+Na-2H]- 245.046306 148.8
[M]+ 224.07109142 146.5
[M]- 224.07218858 146.5
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

patents stripe