CID 5222389

53693-73-5

Structural Information

Molecular Formula
C18H16N2O
SMILES
CN(C1=CC=CC=C1)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H16N2O/c1-20(15-10-3-2-4-11-15)18(21)19-17-13-7-9-14-8-5-6-12-16(14)17/h2-13H,1H3,(H,19,21)
InChIKey
XYXNGOJZDLEWLR-UHFFFAOYSA-N
Compound name
1-methyl-3-naphthalen-1-yl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.12625 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 163.0
[M+Na]+ 299.115468 168.6
[M-H]- 275.118974 171.5
[M+NH4]+ 294.160073 179.5
[M+K]+ 315.089408 164.9
[M+H-H2O]+ 259.123510 154.1
[M+HCOO]- 321.124451 187.7
[M+CH3COO]- 335.140101 174.7
[M+Na-2H]- 297.100916 170.3
[M]+ 276.12570142 162.3
[M]- 276.12679858 162.3
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.