CID 9562701

2-pyridinecarboxaldehyde, o-((p-tolylsulfonyl)carbamoyl)oxime

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O/N=C/C2=CC=CC=N2
InChI
InChI=1S/C14H13N3O4S/c1-11-5-7-13(8-6-11)22(19,20)17-14(18)21-16-10-12-4-2-3-9-15-12/h2-10H,1H3,(H,17,18)/b16-10+
InChIKey
XLQIWRQCDGJBRU-MHWRWJLKSA-N
Compound name
[(E)-pyridin-2-ylmethylideneamino] N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06268 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 169.8
[M+Na]+ 342.05190 180.7
[M+NH4]+ 337.09650 175.4
[M+K]+ 358.02584 173.7
[M-H]- 318.05540 172.3
[M+Na-2H]- 340.03735 177.5
[M]+ 319.06213 172.2
[M]- 319.06323 172.2
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.