CID 5356473

N'-(5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C16H19N3O
SMILES
CC\1=CCC(C/C1=N\NC(=O)C2=CC=NC=C2)C(=C)C
InChI
InChI=1S/C16H19N3O/c1-11(2)14-5-4-12(3)15(10-14)18-19-16(20)13-6-8-17-9-7-13/h4,6-9,14H,1,5,10H2,2-3H3,(H,19,20)/b18-15+
InChIKey
DFJXENPTGLEKTN-OBGWFSINSA-N
Compound name
N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.1528 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16008 164.2
[M+Na]+ 292.14202 168.9
[M-H]- 268.14552 170.3
[M+NH4]+ 287.18662 179.0
[M+K]+ 308.11596 165.3
[M+H-H2O]+ 252.15006 155.2
[M+HCOO]- 314.15100 186.1
[M+CH3COO]- 328.16665 206.0
[M+Na-2H]- 290.12747 166.8
[M]+ 269.15225 160.8
[M]- 269.15335 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.