CID 282495

1-(3-ethoxypropyl)-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCOCCCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O2/c1-2-20-12-6-11-17-16(19)18-15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12H2,1H3,(H2,17,18,19)
InChIKey
QYFOPTGYZOIDKI-UHFFFAOYSA-N
Compound name
1-(3-ethoxypropyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 162.8
[M+Na]+ 295.14169 167.8
[M-H]- 271.14519 166.6
[M+NH4]+ 290.18629 179.4
[M+K]+ 311.11563 164.4
[M+H-H2O]+ 255.14973 155.0
[M+HCOO]- 317.15067 186.6
[M+CH3COO]- 331.16632 203.6
[M+Na-2H]- 293.12714 169.4
[M]+ 272.15192 164.3
[M]- 272.15302 164.3
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.