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

1
Patents

224.07164 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07892 143.4
[M+Na]+ 247.06086 152.7
[M-H]- 223.06436 151.0
[M+NH4]+ 242.10546 157.5
[M+K]+ 263.03480 147.6
[M+H-H2O]+ 207.06890 137.6
[M+HCOO]- 269.06984 164.9
[M+CH3COO]- 283.08549 195.2
[M+Na-2H]- 245.04631 148.8
[M]+ 224.07109 146.5
[M]- 224.07219 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