CID 485137

Chembl267486

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C15H12N4O/c20-15(17-12-4-2-1-3-5-12)19-14-7-6-11-10-16-9-8-13(11)18-14/h1-10H,(H2,17,18,19,20)
InChIKey
JVJHTUPTQFXVHH-UHFFFAOYSA-N
Compound name
1-(1,6-naphthyridin-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.1011 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10838 157.2
[M+Na]+ 287.09032 164.1
[M-H]- 263.09382 162.0
[M+NH4]+ 282.13492 170.9
[M+K]+ 303.06426 159.1
[M+H-H2O]+ 247.09836 147.3
[M+HCOO]- 309.09930 179.9
[M+CH3COO]- 323.11495 168.3
[M+Na-2H]- 285.07577 167.6
[M]+ 264.10055 155.4
[M]- 264.10165 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.