CID 9575102

Picolinic acid n-(2-benzoxazolylmethylene)amidrazone

Structural Information

Molecular Formula
C14H11N5O
SMILES
C1=CC=C2C(=C1)N=C(O2)/C=N/N=C(/C3=CC=CC=N3)\N
InChI
InChI=1S/C14H11N5O/c15-14(11-6-3-4-8-16-11)19-17-9-13-18-10-5-1-2-7-12(10)20-13/h1-9H,(H2,15,19)/b17-9+
InChIKey
FSLRPTAJTOQERG-RQZCQDPDSA-N
Compound name
N'-[(E)-1,3-benzoxazol-2-ylmethylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.09637 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10365 157.1
[M+Na]+ 288.08559 165.7
[M-H]- 264.08909 165.5
[M+NH4]+ 283.13019 172.2
[M+K]+ 304.05953 162.8
[M+H-H2O]+ 248.09363 147.1
[M+HCOO]- 310.09457 185.0
[M+CH3COO]- 324.11022 170.0
[M+Na-2H]- 286.07104 166.8
[M]+ 265.09582 159.1
[M]- 265.09692 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.