CID 4176894

1-butyl-3-(1-naphthyl)-1-phenylurea

Structural Information

Molecular Formula
C21H22N2O
SMILES
CCCCN(C1=CC=CC=C1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H22N2O/c1-2-3-16-23(18-12-5-4-6-13-18)21(24)22-20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3,(H,22,24)
InChIKey
FTCWXJVRQVAWKI-UHFFFAOYSA-N
Compound name
1-butyl-3-naphthalen-1-yl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.17322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.180496 176.9
[M+Na]+ 341.162438 181.1
[M-H]- 317.165944 184.7
[M+NH4]+ 336.207043 191.6
[M+K]+ 357.136378 176.7
[M+H-H2O]+ 301.170480 167.4
[M+HCOO]- 363.171421 200.5
[M+CH3COO]- 377.187071 215.7
[M+Na-2H]- 339.147886 182.5
[M]+ 318.17267142 177.1
[M]- 318.17376858 177.1
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.