CID 3052942

Pyridinium, 2-benzylhydrazinocarbonyl-1-methyl-, iodide, hemihydrate

Structural Information

Molecular Formula
C14H16N3O
SMILES
C[N+]1=CC=CC=C1C(=O)NNCC2=CC=CC=C2
InChI
InChI=1S/C14H15N3O/c1-17-10-6-5-9-13(17)14(18)16-15-11-12-7-3-2-4-8-12/h2-10,18H,11H2,1H3/p+1
InChIKey
BDNGLFPENLUHSZ-UHFFFAOYSA-O
Compound name
N'-benzyl-1-methylpyridin-1-ium-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12933 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13661 155.5
[M+Na]+ 265.11855 161.1
[M-H]- 241.12205 160.9
[M+NH4]+ 260.16315 170.3
[M+K]+ 281.09249 151.8
[M+H-H2O]+ 225.12659 149.4
[M+HCOO]- 287.12753 179.7
[M+CH3COO]- 301.14318 190.0
[M+Na-2H]- 263.10400 164.8
[M]+ 242.12878 152.8
[M]- 242.12988 152.8
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.