CID 5129202

1-(naphthalen-1-yl)-3-propylurea

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.13355 152.2
[M+Na]+ 251.11549 164.3
[M+NH4]+ 246.16009 161.0
[M+K]+ 267.08943 156.6
[M-H]- 227.11899 156.3
[M+Na-2H]- 249.10094 159.5
[M]+ 228.12572 155.0
[M]- 228.12682 155.0
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

patents stripe