CID 282500

102433-12-5

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

C1CC1NC(=O)NC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H14N2O/c17-14(15-11-8-9-11)16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H,8-9H2,(H2,15,16,17)

InChIKey

FKEQZELVGBYDLF-UHFFFAOYSA-N

Compound name

1-cyclopropyl-3-naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 226.11061 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.117886	145.0
[M+Na]+	249.099828	153.0
[M-H]-	225.103334	153.1
[M+NH4]+	244.144433	158.7
[M+K]+	265.073768	148.6
[M+H-H2O]+	209.107870	138.0
[M+HCOO]-	271.108811	169.9
[M+CH3COO]-	285.124461	157.4
[M+Na-2H]-	247.085276	153.4
[M]+	226.11006142	145.6
[M]-	226.11115858	145.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.