CID 9570876

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

Structural Information

Molecular Formula
C13H13N3OS
SMILES
CC/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=CS2
InChI
InChI=1S/C13H13N3OS/c1-2-11(12-6-4-8-18-12)15-16-13(17)10-5-3-7-14-9-10/h3-9H,2H2,1H3,(H,16,17)/b15-11+
InChIKey
FAKNKUGKORAMQI-RVDMUPIBSA-N
Compound name
N-[(E)-1-thiophen-2-ylpropylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07794 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.08522 158.7
[M+Na]+ 282.06716 165.0
[M-H]- 258.07066 165.6
[M+NH4]+ 277.11176 176.2
[M+K]+ 298.04110 161.6
[M+H-H2O]+ 242.07520 150.3
[M+HCOO]- 304.07614 179.9
[M+CH3COO]- 318.09179 198.3
[M+Na-2H]- 280.05261 161.0
[M]+ 259.07739 160.2
[M]- 259.07849 160.2
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.