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]+ 318.16008 174.8
[M+Na]+ 340.14202 178.2
[M-H]- 316.14552 183.3
[M+NH4]+ 335.18662 186.3
[M+K]+ 356.11596 173.8
[M+H-H2O]+ 300.15006 163.6
[M+HCOO]- 362.15100 198.9
[M+CH3COO]- 376.16665 184.7
[M+Na-2H]- 338.12747 181.4
[M]+ 317.15225 173.4
[M]- 317.15335 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.