CID 2827761

N-(sec-butyl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCC(C)NC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H15ClN2O/c1-3-8(2)13-11(15)14-10-6-4-5-9(12)7-10/h4-8H,3H2,1-2H3,(H2,13,14,15)
InChIKey
JAKSUJDWQPNXFP-UHFFFAOYSA-N
Compound name
1-butan-2-yl-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

226.0873 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.094576 151.2
[M+Na]+ 249.076518 157.7
[M-H]- 225.080024 154.7
[M+NH4]+ 244.121123 169.8
[M+K]+ 265.050458 154.0
[M+H-H2O]+ 209.084560 145.6
[M+HCOO]- 271.085501 171.1
[M+CH3COO]- 285.101151 193.6
[M+Na-2H]- 247.061966 155.1
[M]+ 226.08675142 152.1
[M]- 226.08784858 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.