CID 443080

251917-79-0

Structural Information

Molecular Formula
C18H16N2O2
SMILES
COC1=CC=CC=C1NC(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H16N2O2/c1-22-17-9-5-4-8-16(17)20-18(21)19-15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3,(H2,19,20,21)
InChIKey
ISADADAHPHHLEM-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-3-naphthalen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

292.1212 Da
Monoisotopic Mass

3.7
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

literature stripe

Patent stripe

patents stripe