CID 9575099

Picolinic acid n-(2-benzothienylmethylene)amidrazone

Structural Information

Molecular Formula
C15H12N4S
SMILES
C1=CC=C2C(=C1)C=C(S2)/C=N/N=C(/C3=CC=CC=N3)\N
InChI
InChI=1S/C15H12N4S/c16-15(13-6-3-4-8-17-13)19-18-10-12-9-11-5-1-2-7-14(11)20-12/h1-10H,(H2,16,19)/b18-10+
InChIKey
ZDZHJPSEOZTQMM-VCHYOVAHSA-N
Compound name
N'-[(E)-1-benzothiophen-2-ylmethylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07828 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08556 160.3
[M+Na]+ 303.06750 169.3
[M-H]- 279.07100 169.4
[M+NH4]+ 298.11210 178.5
[M+K]+ 319.04144 164.0
[M+H-H2O]+ 263.07554 151.7
[M+HCOO]- 325.07648 184.9
[M+CH3COO]- 339.09213 173.2
[M+Na-2H]- 301.05295 166.5
[M]+ 280.07773 162.7
[M]- 280.07883 162.7
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.