CID 485134

1-benzyl-3-(1,6-naphthyridin-2-yl)urea

Structural Information

Molecular Formula
C16H14N4O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C16H14N4O/c21-16(18-10-12-4-2-1-3-5-12)20-15-7-6-13-11-17-9-8-14(13)19-15/h1-9,11H,10H2,(H2,18,19,20,21)
InChIKey
OZJKGVDIYTULPQ-UHFFFAOYSA-N
Compound name
1-benzyl-3-(1,6-naphthyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.11676 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12404 161.7
[M+Na]+ 301.10598 168.1
[M-H]- 277.10948 166.3
[M+NH4]+ 296.15058 174.8
[M+K]+ 317.07992 162.8
[M+H-H2O]+ 261.11402 151.6
[M+HCOO]- 323.11496 184.0
[M+CH3COO]- 337.13061 172.3
[M+Na-2H]- 299.09143 171.5
[M]+ 278.11621 160.1
[M]- 278.11731 160.1
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.