CID 9570315

Isonicotinic acid, 3-thujylidenehydrazide

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC\1C2CC2(C/C1=N\NC(=O)C3=CC=NC=C3)C(C)C
InChI
InChI=1S/C16H21N3O/c1-10(2)16-8-13(16)11(3)14(9-16)18-19-15(20)12-4-6-17-7-5-12/h4-7,10-11,13H,8-9H2,1-3H3,(H,19,20)/b18-14+
InChIKey
IAYJZKYEROTTON-NBVRZTHBSA-N
Compound name
N-[(E)-(4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.6
[M+Na]+ 294.15768 175.8
[M+NH4]+ 289.20228 174.3
[M+K]+ 310.13162 170.9
[M-H]- 270.16118 175.1
[M+Na-2H]- 292.14313 173.3
[M]+ 271.16791 170.2
[M]- 271.16901 170.2
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.