CID 5129202

13256-78-5

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

CCCNC(=O)NC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C14H16N2O/c1-2-10-15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H2,15,16,17)

InChIKey

HMZYFFODLAXNRS-UHFFFAOYSA-N

Compound name

1-naphthalen-1-yl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 228.12627 Da
Monoisotopic Mass: 2.4
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]+	229.13355	150.7
[M+Na]+	251.11549	156.7
[M-H]-	227.11899	154.9
[M+NH4]+	246.16009	169.3
[M+K]+	267.08943	153.2
[M+H-H2O]+	211.12353	143.6
[M+HCOO]-	273.12447	175.0
[M+CH3COO]-	287.14012	195.5
[M+Na-2H]-	249.10094	158.4
[M]+	228.12572	150.0
[M]-	228.12682	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe