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]+ 293.12848 165.7
[M+Na]+ 315.11042 172.0
[M-H]- 291.11392 173.2
[M+NH4]+ 310.15502 181.2
[M+K]+ 331.08436 167.7
[M+H-H2O]+ 275.11846 157.0
[M+HCOO]- 337.11940 190.2
[M+CH3COO]- 351.13505 206.8
[M+Na-2H]- 313.09587 173.2
[M]+ 292.12065 165.7
[M]- 292.12175 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.