CID 24839660

Dibenzyl isoniazide

Structural Information

Molecular Formula
C20H19N3O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H19N3O/c24-20(19-11-13-21-14-12-19)22-23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,22,24)
InChIKey
HHDWXNMCSRMNIS-UHFFFAOYSA-N
Compound name
N',N'-dibenzylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.160076 174.8
[M+Na]+ 340.142018 178.2
[M-H]- 316.145524 183.3
[M+NH4]+ 335.186623 186.3
[M+K]+ 356.115958 173.8
[M+H-H2O]+ 300.150060 163.6
[M+HCOO]- 362.151001 198.9
[M+CH3COO]- 376.166651 184.7
[M+Na-2H]- 338.127466 181.4
[M]+ 317.15225142 173.4
[M]- 317.15334858 173.4
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.