CID 170455492

2-methoxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

Structural Information

Molecular Formula
C19H16N4O5S
SMILES
COC1=C(C=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)O
InChI
InChI=1S/C19H16N4O5S/c1-28-17-10-7-14(12-16(17)19(24)25)22-21-13-5-8-15(9-6-13)29(26,27)23-18-4-2-3-11-20-18/h2-12H,1H3,(H,20,23)(H,24,25)
InChIKey
PUVKYASABACJRH-UHFFFAOYSA-N
Compound name
2-methoxy-5-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.08414 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.091416 192.9
[M+Na]+ 435.073358 199.2
[M-H]- 411.076864 202.8
[M+NH4]+ 430.117963 201.2
[M+K]+ 451.047298 195.1
[M+H-H2O]+ 395.081400 182.0
[M+HCOO]- 457.082341 213.9
[M+CH3COO]- 471.097991 228.8
[M+Na-2H]- 433.058806 199.2
[M]+ 412.08359142 197.3
[M]- 412.08468858 197.3
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.