CID 165360951

Dtxsid101341042

Structural Information

Molecular Formula
C19H18N4O7S
SMILES
COC1=C(C=C(C(=C1)N=NC2=C(C=CC3=C2C(=CC=C3)NC(=O)OC)O)O)S(=O)(=O)N
InChI
InChI=1S/C19H18N4O7S/c1-29-15-8-12(14(25)9-16(15)31(20,27)28)22-23-18-13(24)7-6-10-4-3-5-11(17(10)18)21-19(26)30-2/h3-9,24-25H,1-2H3,(H,21,26)(H2,20,27,28)
InChIKey
MZLQWBYKPHTSOV-UHFFFAOYSA-N
Compound name
methyl N-[7-hydroxy-8-[(2-hydroxy-5-methoxy-4-sulfamoylphenyl)diazenyl]naphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.08963 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.09691 199.3
[M+Na]+ 469.07885 208.0
[M+NH4]+ 464.12345 202.7
[M+K]+ 485.05279 203.2
[M-H]- 445.08235 202.2
[M+Na-2H]- 467.06430 204.1
[M]+ 446.08908 201.3
[M]- 446.09018 201.3
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.