CID 3023235

P-((dicyanomethyl)azo)-n-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide

Structural Information

Molecular Formula
C15H13N7O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=NC(C#N)C#N)C
InChI
InChI=1S/C15H13N7O2S/c1-10-7-11(2)19-15(18-10)22-25(23,24)14-5-3-12(4-6-14)20-21-13(8-16)9-17/h3-7,13H,1-2H3,(H,18,19,22)
InChIKey
ILEWOXQBSGVMNS-UHFFFAOYSA-N
Compound name
4-(dicyanomethyldiazenyl)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.08514 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09242 195.7
[M+Na]+ 378.07436 203.0
[M+NH4]+ 373.11896 194.4
[M+K]+ 394.04830 192.2
[M-H]- 354.07786 186.7
[M+Na-2H]- 376.05981 195.3
[M]+ 355.08459 193.1
[M]- 355.08569 193.1
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.