CID 136679316

Dtxsid001386174

Structural Information

Molecular Formula
C15H8N6O4S
SMILES
C1=CC2=C(C=CC(=C2N=NC3=NC(=C(N3)C#N)C#N)O)C=C1S(=O)(=O)O
InChI
InChI=1S/C15H8N6O4S/c16-6-11-12(7-17)19-15(18-11)21-20-14-10-3-2-9(26(23,24)25)5-8(10)1-4-13(14)22/h1-5,22H,(H,18,19)(H,23,24,25)
InChIKey
LRTOQUBZZBLYLM-UHFFFAOYSA-N
Compound name
5-[(4,5-dicyano-1H-imidazol-2-yl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.03278 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04006 203.0
[M+Na]+ 391.02200 213.8
[M-H]- 367.02550 205.4
[M+NH4]+ 386.06660 209.9
[M+K]+ 406.99594 208.5
[M+H-H2O]+ 351.03004 185.8
[M+HCOO]- 413.03098 210.4
[M+CH3COO]- 427.04663 234.9
[M+Na-2H]- 389.00745 202.5
[M]+ 368.03223 196.8
[M]- 368.03333 196.8
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.