CID 187652

1-(3,4-dichlorophenyl)-3-(2-hydroxy-1-propyl)urea

Structural Information

Molecular Formula
C10H12Cl2N2O2
SMILES
CC(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C10H12Cl2N2O2/c1-6(15)5-13-10(16)14-7-2-3-8(11)9(12)4-7/h2-4,6,15H,5H2,1H3,(H2,13,14,16)
InChIKey
DDQPHMVEYIHWOZ-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(2-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0276 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.034876 154.8
[M+Na]+ 285.016818 162.5
[M-H]- 261.020324 156.8
[M+NH4]+ 280.061423 171.9
[M+K]+ 300.990758 157.4
[M+H-H2O]+ 245.024860 150.8
[M+HCOO]- 307.025801 168.8
[M+CH3COO]- 321.041451 196.0
[M+Na-2H]- 283.002266 157.4
[M]+ 262.02705142 156.6
[M]- 262.02814858 156.6
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.