CID 9574237

Inh 4etso2phcho

Structural Information

Molecular Formula
C15H15N3O3S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H15N3O3S/c1-2-22(20,21)14-5-3-12(4-6-14)11-17-18-15(19)13-7-9-16-10-8-13/h3-11H,2H2,1H3,(H,18,19)/b17-11+
InChIKey
QRYLYIBBGKRNFE-GZTJUZNOSA-N
Compound name
N-[(E)-(4-ethylsulfonylphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0834 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09068 171.7
[M+Na]+ 340.07262 178.6
[M-H]- 316.07612 178.4
[M+NH4]+ 335.11722 184.8
[M+K]+ 356.04656 174.1
[M+H-H2O]+ 300.08066 162.7
[M+HCOO]- 362.08160 191.5
[M+CH3COO]- 376.09725 207.8
[M+Na-2H]- 338.05807 177.0
[M]+ 317.08285 174.6
[M]- 317.08395 174.6
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.