CID 101442

2877-65-8

Structural Information

Molecular Formula
C10H11N7O3S
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)S(=O)(=O)O
InChI
InChI=1S/C10H11N7O3S/c11-8-7(9(12)15-10(13)14-8)17-16-5-1-3-6(4-2-5)21(18,19)20/h1-4H,(H,18,19,20)(H6,11,12,13,14,15)
InChIKey
XTTCCPVIYILKCY-UHFFFAOYSA-N
Compound name
4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

309.06442 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07170 165.1
[M+Na]+ 332.05364 174.0
[M-H]- 308.05714 170.4
[M+NH4]+ 327.09824 176.1
[M+K]+ 348.02758 169.3
[M+H-H2O]+ 292.06168 155.8
[M+HCOO]- 354.06262 186.8
[M+CH3COO]- 368.07827 214.9
[M+Na-2H]- 330.03909 171.2
[M]+ 309.06387 164.1
[M]- 309.06497 164.1
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

patents stripe