CID 282483

1-(3-methoxypropyl)-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C15H18N2O2
SMILES
COCCCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H18N2O2/c1-19-11-5-10-16-15(18)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H2,16,17,18)
InChIKey
NPKHEVZVWSMFBS-UHFFFAOYSA-N
Compound name
1-(3-methoxypropyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.144116 158.2
[M+Na]+ 281.126058 163.6
[M-H]- 257.129564 162.2
[M+NH4]+ 276.170663 175.4
[M+K]+ 297.099998 160.5
[M+H-H2O]+ 241.134100 150.7
[M+HCOO]- 303.135041 182.4
[M+CH3COO]- 317.150691 200.6
[M+Na-2H]- 279.111506 165.4
[M]+ 258.13629142 159.3
[M]- 258.13738858 159.3
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.