CID 136058584

Einecs 280-688-9

Structural Information

Molecular Formula
C17H14N4O6S
SMILES
CS(=O)(=O)NC1=CC=CC2=C1C(=C(C=C2)O)N=NC3=C(C=CC(=C3)[N+](=O)[O-])O
InChI
InChI=1S/C17H14N4O6S/c1-28(26,27)20-12-4-2-3-10-5-7-15(23)17(16(10)12)19-18-13-9-11(21(24)25)6-8-14(13)22/h2-9,20,22-23H,1H3
InChIKey
IFLUUYDCVBMBJH-UHFFFAOYSA-N
Compound name
N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)diazenyl]naphthalen-1-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.06342 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.07070 182.9
[M+Na]+ 425.05264 188.4
[M-H]- 401.05614 190.5
[M+NH4]+ 420.09724 192.7
[M+K]+ 441.02658 180.3
[M+H-H2O]+ 385.06068 178.1
[M+HCOO]- 447.06162 203.6
[M+CH3COO]- 461.07727 220.6
[M+Na-2H]- 423.03809 193.1
[M]+ 402.06287 184.4
[M]- 402.06397 184.4
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.