CID 2189793

13256-80-9

Structural Information

Molecular Formula
C18H16N2O
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O/c1-13-7-2-5-11-16(13)19-18(21)20-17-12-6-9-14-8-3-4-10-15(14)17/h2-12H,1H3,(H2,19,20,21)
InChIKey
XVNVNRUGPYHNSW-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 162.7
[M+Na]+ 299.115468 169.1
[M-H]- 275.118974 170.2
[M+NH4]+ 294.160073 178.9
[M+K]+ 315.089408 164.1
[M+H-H2O]+ 259.123510 154.3
[M+HCOO]- 321.124451 186.9
[M+CH3COO]- 335.140101 174.3
[M+Na-2H]- 297.100916 170.1
[M]+ 276.12570142 161.2
[M]- 276.12679858 161.2
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.