CID 485141

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

Structural Information

Molecular Formula
C18H18N4O2
SMILES
CCOC1=CC=CC=C1NC(=O)NC2=NC3=C(C=C2C)C=NC=C3
InChI
InChI=1S/C18H18N4O2/c1-3-24-16-7-5-4-6-15(16)21-18(23)22-17-12(2)10-13-11-19-9-8-14(13)20-17/h4-11H,3H2,1-2H3,(H2,20,21,22,23)
InChIKey
LCQIFBCTCUWDQX-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-3-(3-methyl-1,6-naphthyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 175.7
[M+Na]+ 345.13219 182.8
[M-H]- 321.13569 180.7
[M+NH4]+ 340.17679 187.4
[M+K]+ 361.10613 177.9
[M+H-H2O]+ 305.14023 165.2
[M+HCOO]- 367.14117 197.3
[M+CH3COO]- 381.15682 213.4
[M+Na-2H]- 343.11764 182.7
[M]+ 322.14242 176.9
[M]- 322.14352 176.9
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.