CID 6604926

Sb-334867

Structural Information

Molecular Formula
C17H13N5O2
SMILES
CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4
InChI
InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey
AKMNUCBQGHFICM-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

372
References

1025
Patents

319.10693 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11421 171.4
[M+Na]+ 342.09615 181.3
[M-H]- 318.09965 177.8
[M+NH4]+ 337.14075 183.4
[M+K]+ 358.07009 176.8
[M+H-H2O]+ 302.10419 161.2
[M+HCOO]- 364.10513 193.1
[M+CH3COO]- 378.12078 182.7
[M+Na-2H]- 340.08160 180.5
[M]+ 319.10638 174.6
[M]- 319.10748 174.6
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