CID 23366

Nsc 39355

Structural Information

Molecular Formula
C32H18Cl2N2O6S
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl
InChI
InChI=1S/C32H18Cl2N2O6S/c33-25-27(31(39)23-7-3-1-5-21(23)29(25)37)35-17-9-13-19(14-10-17)43(41,42)20-15-11-18(12-16-20)36-28-26(34)30(38)22-6-2-4-8-24(22)32(28)40/h1-16,35-36H
InChIKey
PUJNJVCNZLKFBQ-UHFFFAOYSA-N
Compound name
2-chloro-3-[4-[4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]phenyl]sulfonylanilino]naphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.02625 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.03353 243.1
[M+Na]+ 651.01547 252.1
[M-H]- 627.01897 256.3
[M+NH4]+ 646.06007 247.1
[M+K]+ 666.98941 245.6
[M+H-H2O]+ 611.02351 232.6
[M+HCOO]- 673.02445 247.9
[M+CH3COO]- 687.04010 249.2
[M+Na-2H]- 649.00092 245.4
[M]+ 628.02570 250.7
[M]- 628.02680 250.7
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.