CID 2837031

1-(4-methoxyphenyl)-3-(naphthalen-1-yl)urea

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O2/c1-22-15-11-9-14(10-12-15)19-18(21)20-17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H2,19,20,21)
InChIKey
ONSCRUWDBKFVNZ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 165.7
[M+Na]+ 315.110418 172.0
[M-H]- 291.113924 173.2
[M+NH4]+ 310.155023 181.2
[M+K]+ 331.084358 167.7
[M+H-H2O]+ 275.118460 157.0
[M+HCOO]- 337.119401 190.2
[M+CH3COO]- 351.135051 206.8
[M+Na-2H]- 313.095866 173.2
[M]+ 292.12065142 165.7
[M]- 292.12174858 165.7
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.