CID 5465074

Nsc633262

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N=N/C(=C/2\C=CC=CN2O)/C)C
InChI
InChI=1S/C16H19N3O3S/c1-11-9-12(2)16(13(3)10-11)23(21,22)18-17-14(4)15-7-5-6-8-19(15)20/h5-10,20H,1-4H3/b15-14+,18-17?
InChIKey
DOMJZXWEJYABIX-DOMKFBOISA-N
Compound name
N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]imino-2,4,6-trimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11472 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 176.6
[M+Na]+ 356.10394 184.5
[M-H]- 332.10744 183.7
[M+NH4]+ 351.14854 189.9
[M+K]+ 372.07788 180.2
[M+H-H2O]+ 316.11198 168.1
[M+HCOO]- 378.11292 194.5
[M+CH3COO]- 392.12857 214.9
[M+Na-2H]- 354.08939 178.5
[M]+ 333.11417 179.7
[M]- 333.11527 179.7
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.