CID 485135

1-[(3-methoxyphenyl)methyl]-3-(1,6-naphthyridin-2-yl)urea

Structural Information

Molecular Formula
C17H16N4O2
SMILES
COC1=CC=CC(=C1)CNC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H16N4O2/c1-23-14-4-2-3-12(9-14)10-19-17(22)21-16-6-5-13-11-18-8-7-15(13)20-16/h2-9,11H,10H2,1H3,(H2,19,20,21,22)
InChIKey
SEFUGQJULCPCNU-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]-3-(1,6-naphthyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.12732 Da
Monoisotopic Mass

1.9
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

No patent data available for this compound.