CID 106051

67905-53-7

Structural Information

Molecular Formula
C19H11Cl2N3O8S2
SMILES
C1=CC2=C(C=C1C(=O)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C19H11Cl2N3O8S2/c20-17-18(21)23-13-5-8(1-2-12(13)22-17)19(26)24-14-6-10(33(27,28)29)3-9-4-11(34(30,31)32)7-15(25)16(9)14/h1-7,25H,(H,24,26)(H,27,28,29)(H,30,31,32)
InChIKey
ZSNNYCHHXXHXFQ-UHFFFAOYSA-N
Compound name
4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.93646 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.94374 217.1
[M+Na]+ 565.92568 230.5
[M+NH4]+ 560.97028 220.5
[M+K]+ 581.89962 222.9
[M-H]- 541.92918 217.1
[M+Na-2H]- 563.91113 221.6
[M]+ 542.93591 220.3
[M]- 542.93701 220.3
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.