CID 468632

Butane, 1,2-diisonicotinoylhydrazono-

Structural Information

Molecular Formula
C17H21N5O2
SMILES
CCC(CNNC(=O)C1=CC=NC=C1)NNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H21N5O2/c1-2-15(20-22-17(24)13-6-4-3-5-7-13)12-19-21-16(23)14-8-10-18-11-9-14/h3-11,15,19-20H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKey
GTUFYIBABNCGIY-UHFFFAOYSA-N
Compound name
N'-[2-(2-benzoylhydrazinyl)butyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.16953 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.17681 175.3
[M+Na]+ 350.15875 176.6
[M-H]- 326.16225 179.6
[M+NH4]+ 345.20335 185.5
[M+K]+ 366.13269 173.7
[M+H-H2O]+ 310.16679 164.8
[M+HCOO]- 372.16773 199.2
[M+CH3COO]- 386.18338 217.9
[M+Na-2H]- 348.14420 180.5
[M]+ 327.16898 172.5
[M]- 327.17008 172.5
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.