CID 9575103

Picolinic acid n-(5-methyl-2-benzoxazolylmethylene)amidrazone

Structural Information

Molecular Formula
C15H13N5O
SMILES
CC1=CC2=C(C=C1)OC(=N2)/C=N/N=C(/C3=CC=CC=N3)\N
InChI
InChI=1S/C15H13N5O/c1-10-5-6-13-12(8-10)19-14(21-13)9-18-20-15(16)11-4-2-3-7-17-11/h2-9H,1H3,(H2,16,20)/b18-9+
InChIKey
KTFWLDVYQFAAQA-GIJQJNRQSA-N
Compound name
N'-[(E)-(5-methyl-1,3-benzoxazol-2-yl)methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.112 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11928 163.0
[M+Na]+ 302.10122 172.1
[M-H]- 278.10472 171.7
[M+NH4]+ 297.14582 177.9
[M+K]+ 318.07516 168.9
[M+H-H2O]+ 262.10926 153.0
[M+HCOO]- 324.11020 190.5
[M+CH3COO]- 338.12585 175.8
[M+Na-2H]- 300.08667 171.3
[M]+ 279.11145 165.8
[M]- 279.11255 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.