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 205.3
[M+Na]+ 565.92568 215.2
[M-H]- 541.92918 208.2
[M+NH4]+ 560.97028 209.6
[M+K]+ 581.89962 209.6
[M+H-H2O]+ 525.93372 200.8
[M+HCOO]- 587.93466 201.8
[M+CH3COO]- 601.95031 235.6
[M+Na-2H]- 563.91113 214.2
[M]+ 542.93591 215.5
[M]- 542.93701 215.5
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.