CID 73003

2877-69-2

Structural Information

Molecular Formula
C10H12N8O2S
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)S(=O)(=O)N
InChI
InChI=1S/C10H12N8O2S/c11-8-7(9(12)16-10(13)15-8)18-17-5-1-3-6(4-2-5)21(14,19)20/h1-4H,(H2,14,19,20)(H6,11,12,13,15,16)
InChIKey
DNSOFHYVURNLJL-UHFFFAOYSA-N
Compound name
4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08038 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.08766 164.8
[M+Na]+ 331.06960 173.6
[M-H]- 307.07310 171.0
[M+NH4]+ 326.11420 176.1
[M+K]+ 347.04354 168.9
[M+H-H2O]+ 291.07764 155.1
[M+HCOO]- 353.07858 188.1
[M+CH3COO]- 367.09423 219.8
[M+Na-2H]- 329.05505 170.9
[M]+ 308.07983 162.6
[M]- 308.08093 162.6
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.