CID 421464

Nsc134135

Structural Information

Molecular Formula
C20H14N4O5S2
SMILES
C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)O)C(=O)O
InChI
InChI=1S/C20H14N4O5S2/c25-18-16(19(26)27)11-12-3-1-2-4-15(12)17(18)23-22-13-5-7-14(8-6-13)31(28,29)24-20-21-9-10-30-20/h1-11,25H,(H,21,24)(H,26,27)
InChIKey
SVWTXANWDCROMS-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

454.04056 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.04784 200.8
[M+Na]+ 477.02978 209.2
[M-H]- 453.03328 210.5
[M+NH4]+ 472.07438 210.2
[M+K]+ 493.00372 202.9
[M+H-H2O]+ 437.03782 192.6
[M+HCOO]- 499.03876 216.6
[M+CH3COO]- 513.05441 231.9
[M+Na-2H]- 475.01523 207.4
[M]+ 454.04001 206.6
[M]- 454.04111 206.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.