CID 240058

1-furfuryl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NCC3=CC=CO3
InChI
InChI=1S/C16H14N2O2/c19-16(17-11-13-7-4-10-20-13)18-15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H2,17,18,19)
InChIKey
MLJYLJIZXVJSTL-UHFFFAOYSA-N
Compound name
1-(furan-2-ylmethyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.2
[M+Na]+ 289.09475 165.6
[M-H]- 265.09825 166.9
[M+NH4]+ 284.13935 175.4
[M+K]+ 305.06869 162.5
[M+H-H2O]+ 249.10279 150.6
[M+HCOO]- 311.10373 184.8
[M+CH3COO]- 325.11938 171.1
[M+Na-2H]- 287.08020 166.5
[M]+ 266.10498 160.0
[M]- 266.10608 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.