CID 135570892

24014-78-6

Structural Information

Molecular Formula
C19H18ClN3O6S
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)N=NC3=C(C(=CC(=C3)Cl)S(=O)(=O)O)O)O
InChI
InChI=1S/C19H18ClN3O6S/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29)
InChIKey
CDBCJUOSCZAERS-UHFFFAOYSA-N
Compound name
3-[(1-butyl-4-hydroxy-2-oxoquinolin-3-yl)diazenyl]-5-chloro-2-hydroxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.0605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.06778 200.1
[M+Na]+ 474.04972 210.1
[M-H]- 450.05322 206.1
[M+NH4]+ 469.09432 209.2
[M+K]+ 490.02366 204.1
[M+H-H2O]+ 434.05776 192.4
[M+HCOO]- 496.05870 212.0
[M+CH3COO]- 510.07435 231.3
[M+Na-2H]- 472.03517 204.0
[M]+ 451.05995 209.2
[M]- 451.06105 209.2
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.