CID 485138

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

Structural Information

Molecular Formula
C16H14N4O2
SMILES
COC1=CC=CC=C1NC(=O)NC2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C16H14N4O2/c1-22-14-5-3-2-4-13(14)19-16(21)20-15-7-6-11-10-17-9-8-12(11)18-15/h2-10H,1H3,(H2,18,19,20,21)
InChIKey
BZUVSXWVWDZJRV-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-3-(1,6-naphthyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

294.11166 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 165.6
[M+Na]+ 317.10088 172.7
[M-H]- 293.10438 170.6
[M+NH4]+ 312.14548 178.2
[M+K]+ 333.07482 168.2
[M+H-H2O]+ 277.10892 155.4
[M+HCOO]- 339.10986 188.0
[M+CH3COO]- 353.12551 176.3
[M+Na-2H]- 315.08633 174.6
[M]+ 294.11111 165.8
[M]- 294.11221 165.8
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