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]+ 259.14412 158.2
[M+Na]+ 281.12606 163.6
[M-H]- 257.12956 162.2
[M+NH4]+ 276.17066 175.4
[M+K]+ 297.10000 160.5
[M+H-H2O]+ 241.13410 150.7
[M+HCOO]- 303.13504 182.4
[M+CH3COO]- 317.15069 200.6
[M+Na-2H]- 279.11151 165.4
[M]+ 258.13629 159.3
[M]- 258.13739 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.