CID 200859

Brn 0317112

Structural Information

Molecular Formula
C12H13N5O3S
SMILES
CC1=C(C(=NC(=N1)N)C)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C12H13N5O3S/c1-7-11(8(2)15-12(13)14-7)17-16-9-3-5-10(6-4-9)21(18,19)20/h3-6H,1-2H3,(H2,13,14,15)(H,18,19,20)
InChIKey
MIRMPZJQPLOTPK-UHFFFAOYSA-N
Compound name
4-[(2-amino-4,6-dimethylpyrimidin-5-yl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.08118 167.8
[M+Na]+ 330.06312 179.1
[M+NH4]+ 325.10772 173.1
[M+K]+ 346.03706 172.8
[M-H]- 306.06662 170.7
[M+Na-2H]- 328.04857 174.8
[M]+ 307.07335 170.4
[M]- 307.07445 170.4
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.