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 170.6
[M+Na]+ 342.05190 177.7
[M-H]- 318.05540 177.4
[M+NH4]+ 337.09650 183.6
[M+K]+ 358.02584 174.1
[M+H-H2O]+ 302.05994 161.6
[M+HCOO]- 364.06088 191.0
[M+CH3COO]- 378.07653 206.4
[M+Na-2H]- 340.03735 176.6
[M]+ 319.06213 174.4
[M]- 319.06323 174.4
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.