CID 5240693

1-(4-methylpyridin-2-yl)-3-naphthalen-1-ylurea

Structural Information

Molecular Formula
C17H15N3O
SMILES
CC1=CC(=NC=C1)NC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H15N3O/c1-12-9-10-18-16(11-12)20-17(21)19-15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H2,18,19,20,21)
InChIKey
XLBPYPXDXPCULO-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-pyridinyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.128796 162.7
[M+Na]+ 300.110738 169.6
[M-H]- 276.114244 168.9
[M+NH4]+ 295.155343 177.6
[M+K]+ 316.084678 164.5
[M+H-H2O]+ 260.118780 153.5
[M+HCOO]- 322.119721 186.0
[M+CH3COO]- 336.135371 174.0
[M+Na-2H]- 298.096186 170.9
[M]+ 277.12097142 161.4
[M]- 277.12206858 161.4
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.