CID 71618700

Nk-252

Structural Information

Molecular Formula
C13H11N5O3
SMILES
C1=CC=NC(=C1)CNC(=O)NC2=NN=C(O2)C3=CC=CO3
InChI
InChI=1S/C13H11N5O3/c19-12(15-8-9-4-1-2-6-14-9)16-13-18-17-11(21-13)10-5-3-7-20-10/h1-7H,8H2,(H2,15,16,18,19)
InChIKey
FNSCFQXZZNCDAI-UHFFFAOYSA-N
Compound name
1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

285.08618 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.09346 161.2
[M+Na]+ 308.07540 173.3
[M+NH4]+ 303.12000 166.7
[M+K]+ 324.04934 172.9
[M-H]- 284.07890 167.2
[M+Na-2H]- 306.06085 169.4
[M]+ 285.08563 164.3
[M]- 285.08673 164.3
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.