CID 3020588

85252-32-0

Structural Information

Molecular Formula
C18H13N5O6S
SMILES
C1=CC=C(C(=C1)N(C2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O)N=O)[N+](=O)[O-]
InChI
InChI=1S/C18H13N5O6S/c24-21-22(17-3-1-2-4-18(17)23(25)26)15-9-5-13(6-10-15)19-20-14-7-11-16(12-8-14)30(27,28)29/h1-12H,(H,27,28,29)
InChIKey
FGKAUGFDVNZGAX-UHFFFAOYSA-N
Compound name
4-[[4-(2-nitro-N-nitrosoanilino)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.05865 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.06593 191.4
[M+Na]+ 450.04787 195.1
[M-H]- 426.05137 204.5
[M+NH4]+ 445.09247 199.6
[M+K]+ 466.02181 188.9
[M+H-H2O]+ 410.05591 183.9
[M+HCOO]- 472.05685 217.7
[M+CH3COO]- 486.07250 231.3
[M+Na-2H]- 448.03332 201.8
[M]+ 427.05810 193.9
[M]- 427.05920 193.9
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.