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 197.7
[M+Na]+ 469.07885 204.0
[M-H]- 445.08235 205.0
[M+NH4]+ 464.12345 206.4
[M+K]+ 485.05279 201.7
[M+H-H2O]+ 429.08689 188.3
[M+HCOO]- 491.08783 217.0
[M+CH3COO]- 505.10348 238.6
[M+Na-2H]- 467.06430 203.0
[M]+ 446.08908 203.5
[M]- 446.09018 203.5
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.