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

29
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

literature stripe

Patent stripe

patents stripe