CID 306517

108619-31-4

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

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

InChI

InChI=1S/C15H18N2O/c1-2-3-11-16-15(18)17-14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,2-3,11H2,1H3,(H2,16,17,18)

InChIKey

KGTCAUPNMGXMDM-UHFFFAOYSA-N

Compound name

1-butyl-3-naphthalen-1-ylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 242.1419 Da
Monoisotopic Mass: 2.7
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]+	243.14918	155.3
[M+Na]+	265.13112	160.9
[M-H]-	241.13462	159.3
[M+NH4]+	260.17572	173.3
[M+K]+	281.10506	157.1
[M+H-H2O]+	225.13916	148.0
[M+HCOO]-	287.14010	179.3
[M+CH3COO]-	301.15575	198.5
[M+Na-2H]-	263.11657	162.4
[M]+	242.14135	155.0
[M]-	242.14245	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe