CID 485142

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

Structural Information

Molecular Formula
C18H15N5O2
SMILES
CCOC1=CC=CC=C1NC(=O)NC2=C(C=C3C=NC=CC3=N2)C#N
InChI
InChI=1S/C18H15N5O2/c1-2-25-16-6-4-3-5-15(16)22-18(24)23-17-12(10-19)9-13-11-20-8-7-14(13)21-17/h3-9,11H,2H2,1H3,(H2,21,22,23,24)
InChIKey
DUJDITQJFWYZHW-UHFFFAOYSA-N
Compound name
1-(3-cyano-1,6-naphthyridin-2-yl)-3-(2-ethoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1226 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12988 180.8
[M+Na]+ 356.11182 189.5
[M-H]- 332.11532 183.3
[M+NH4]+ 351.15642 190.1
[M+K]+ 372.08576 182.9
[M+H-H2O]+ 316.11986 163.8
[M+HCOO]- 378.12080 198.2
[M+CH3COO]- 392.13645 188.6
[M+Na-2H]- 354.09727 186.3
[M]+ 333.12205 176.0
[M]- 333.12315 176.0
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.