CID 485139

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

Structural Information

Molecular Formula
C17H16N4O2
SMILES
CCOC1=CC=CC=C1NC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H16N4O2/c1-2-23-15-6-4-3-5-14(15)20-17(22)21-16-8-7-12-11-18-10-9-13(12)19-16/h3-11H,2H2,1H3,(H2,19,20,21,22)
InChIKey
GPVWBDYBADGYJJ-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-3-(1,6-naphthyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

308.12732 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.0
[M+Na]+ 331.11654 176.7
[M-H]- 307.12004 174.8
[M+NH4]+ 326.16114 182.1
[M+K]+ 347.09048 172.0
[M+H-H2O]+ 291.12458 159.6
[M+HCOO]- 353.12552 192.1
[M+CH3COO]- 367.14117 180.3
[M+Na-2H]- 329.10199 178.5
[M]+ 308.12677 170.6
[M]- 308.12787 170.6
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

patents stripe