CID 5465073

Nsc633261

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=N/C(=C/2\C=CC=CN2O)/C
InChI
InChI=1S/C14H15N3O3S/c1-11-6-8-13(9-7-11)21(19,20)16-15-12(2)14-5-3-4-10-17(14)18/h3-10,18H,1-2H3/b14-12+,16-15?
InChIKey
IFUAFYHLCRSMHE-FGSDSCSVSA-N
Compound name
N-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]imino-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.090676 168.1
[M+Na]+ 328.072618 175.2
[M-H]- 304.076124 174.9
[M+NH4]+ 323.117223 181.9
[M+K]+ 344.046558 171.3
[M+H-H2O]+ 288.080660 159.6
[M+HCOO]- 350.081601 186.7
[M+CH3COO]- 364.097251 206.4
[M+Na-2H]- 326.058066 172.3
[M]+ 305.08285142 169.7
[M]- 305.08394858 169.7
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.