CID 302856

1-naphthalen-1-yl-3-pyridin-2-ylurea

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=CC=N3
InChI
InChI=1S/C16H13N3O/c20-16(19-15-10-3-4-11-17-15)18-14-9-5-7-12-6-1-2-8-13(12)14/h1-11H,(H2,17,18,19,20)
InChIKey
ZIDFZWMRWNMDTJ-UHFFFAOYSA-N
Compound name
1-naphthalen-1-yl-3-pyridin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.10587 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.9
[M+Na]+ 286.09509 174.3
[M+NH4]+ 281.13969 168.7
[M+K]+ 302.06903 165.9
[M-H]- 262.09859 165.9
[M+Na-2H]- 284.08054 170.3
[M]+ 263.10532 163.6
[M]- 263.10642 163.6
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.