CID 485143

1-(8-bromo-1,6-naphthyridin-2-yl)-3-(2-ethoxyphenyl)urea

Structural Information

Molecular Formula
C17H15BrN4O2
SMILES
CCOC1=CC=CC=C1NC(=O)NC2=NC3=C(C=NC=C3C=C2)Br
InChI
InChI=1S/C17H15BrN4O2/c1-2-24-14-6-4-3-5-13(14)20-17(23)22-15-8-7-11-9-19-10-12(18)16(11)21-15/h3-10H,2H2,1H3,(H2,20,21,22,23)
InChIKey
FEQQGZUUHSOYSD-UHFFFAOYSA-N
Compound name
1-(8-bromo-1,6-naphthyridin-2-yl)-3-(2-ethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.03784 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.04512 178.1
[M+Na]+ 409.02706 187.6
[M-H]- 385.03056 185.3
[M+NH4]+ 404.07166 191.1
[M+K]+ 425.00100 175.1
[M+H-H2O]+ 369.03510 174.1
[M+HCOO]- 431.03604 197.5
[M+CH3COO]- 445.05169 189.7
[M+Na-2H]- 407.01251 186.3
[M]+ 386.03729 197.4
[M]- 386.03839 197.4
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.