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]+ 263.03488 154.8
[M+Na]+ 285.01682 162.5
[M-H]- 261.02032 156.8
[M+NH4]+ 280.06142 171.9
[M+K]+ 300.99076 157.4
[M+H-H2O]+ 245.02486 150.8
[M+HCOO]- 307.02580 168.8
[M+CH3COO]- 321.04145 196.0
[M+Na-2H]- 283.00227 157.4
[M]+ 262.02705 156.6
[M]- 262.02815 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.