CID 3391698

1-butyl-3-(3-chlorophenyl)-1-phenylurea

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CCCCN(C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H19ClN2O/c1-2-3-12-20(16-10-5-4-6-11-16)17(21)19-15-9-7-8-14(18)13-15/h4-11,13H,2-3,12H2,1H3,(H,19,21)
InChIKey
KBSAXRYDENBBJM-UHFFFAOYSA-N
Compound name
1-butyl-3-(3-chlorophenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1186 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.125876 171.8
[M+Na]+ 325.107818 177.4
[M-H]- 301.111324 179.2
[M+NH4]+ 320.152423 187.5
[M+K]+ 341.081758 172.6
[M+H-H2O]+ 285.115860 163.9
[M+HCOO]- 347.116801 192.6
[M+CH3COO]- 361.132451 209.7
[M+Na-2H]- 323.093266 175.7
[M]+ 302.11805142 174.5
[M]- 302.11914858 174.5
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

No patent data available for this compound.