CID 215239

35285-70-2

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H13N3O3S/c1-10-2-4-12(5-3-10)20(18,19)16-15-13(17)11-6-8-14-9-7-11/h2-9,16H,1H3,(H,15,17)
InChIKey
PSUJEUSCHQUVEU-UHFFFAOYSA-N
Compound name
N'-(4-methylphenyl)sulfonylpyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

291.06775 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 163.2
[M+Na]+ 314.05697 170.1
[M-H]- 290.06047 168.7
[M+NH4]+ 309.10157 176.7
[M+K]+ 330.03091 165.8
[M+H-H2O]+ 274.06501 154.8
[M+HCOO]- 336.06595 182.0
[M+CH3COO]- 350.08160 200.9
[M+Na-2H]- 312.04242 169.1
[M]+ 291.06720 164.3
[M]- 291.06830 164.3
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.