CID 9570882

Nicotinic acid, (alpha-ethyl-5-methyl-2-thenylidene)hydrazide

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 163.2
[M+Na]+ 296.08282 170.0
[M-H]- 272.08632 170.3
[M+NH4]+ 291.12742 180.4
[M+K]+ 312.05676 166.3
[M+H-H2O]+ 256.09086 154.9
[M+HCOO]- 318.09180 184.1
[M+CH3COO]- 332.10745 202.4
[M+Na-2H]- 294.06827 164.3
[M]+ 273.09305 165.5
[M]- 273.09415 165.5
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.