CID 9570882

Brn 0411815

Structural Information

Molecular Formula
C14H15N3OS
SMILES
CC/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=C(S2)C
InChI
InChI=1S/C14H15N3OS/c1-3-12(13-7-6-10(2)19-13)16-17-14(18)11-5-4-8-15-9-11/h4-9H,3H2,1-2H3,(H,17,18)/b16-12+
InChIKey
KTQYIXRCZQFMDB-FOWTUZBSSA-N
Compound name
N-[(E)-1-(5-methylthiophen-2-yl)propylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0936 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.10088 163.0
[M+Na]+ 296.08282 173.3
[M+NH4]+ 291.12742 170.7
[M+K]+ 312.05676 166.7
[M-H]- 272.08632 167.0
[M+Na-2H]- 294.06827 170.0
[M]+ 273.09305 165.8
[M]- 273.09415 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.