CID 135583314

Dtxsid90885843

Structural Information

Molecular Formula
C17H15N5O5S
SMILES
CNS(=O)(=O)C1=CC2=C(C=C1)C(=C(C=C2)N)N=NC3=C(C=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H15N5O5S/c1-19-28(26,27)12-4-5-13-10(8-12)2-6-14(18)17(13)21-20-15-7-3-11(22(24)25)9-16(15)23/h2-9,19,23H,18H2,1H3
InChIKey
QWWGMPPMXCMWHZ-UHFFFAOYSA-N
Compound name
6-amino-5-[(2-hydroxy-4-nitrophenyl)diazenyl]-N-methylnaphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

401.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.08666 183.5
[M+Na]+ 424.06860 194.4
[M+NH4]+ 419.11320 189.1
[M+K]+ 440.04254 190.4
[M-H]- 400.07210 189.7
[M+Na-2H]- 422.05405 190.7
[M]+ 401.07883 186.8
[M]- 401.07993 186.8
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

patents stripe