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]+ 319.18050 176.9
[M+Na]+ 341.16244 181.1
[M-H]- 317.16594 184.7
[M+NH4]+ 336.20704 191.6
[M+K]+ 357.13638 176.7
[M+H-H2O]+ 301.17048 167.4
[M+HCOO]- 363.17142 200.5
[M+CH3COO]- 377.18707 215.7
[M+Na-2H]- 339.14789 182.5
[M]+ 318.17267 177.1
[M]- 318.17377 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.