CID 239526

1-(naphthalen-2-yl)-3-phenylurea

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H14N2O/c20-17(18-15-8-2-1-3-9-15)19-16-11-10-13-6-4-5-7-14(13)12-16/h1-12H,(H2,18,19,20)
InChIKey
MLWGGCOCOBXOFA-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

36
Patents

262.11063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11791 157.4
[M+Na]+ 285.09985 163.4
[M-H]- 261.10335 164.7
[M+NH4]+ 280.14445 174.0
[M+K]+ 301.07379 158.5
[M+H-H2O]+ 245.10789 149.1
[M+HCOO]- 307.10883 182.1
[M+CH3COO]- 321.12448 169.1
[M+Na-2H]- 283.08530 166.2
[M]+ 262.11008 155.2
[M]- 262.11118 155.2
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.