CID 391383

Nsc690556

Structural Information

Molecular Formula
C23H16ClN3O4S2
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5
InChI
InChI=1S/C23H16ClN3O4S2/c24-15-4-9-18-20(12-15)31-22-14(2-1-3-19(22)21(18)28)13-26-16-5-7-17(8-6-16)33(29,30)27-23-25-10-11-32-23/h1-12,26H,13H2,(H,25,27)
InChIKey
CHQPFVHWSKGZMX-UHFFFAOYSA-N
Compound name
4-[(6-chloro-9-oxoxanthen-4-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.02707 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.03435 211.6
[M+Na]+ 520.01629 223.4
[M-H]- 496.01979 223.2
[M+NH4]+ 515.06089 221.1
[M+K]+ 535.99023 216.4
[M+H-H2O]+ 480.02433 204.8
[M+HCOO]- 542.02527 221.3
[M+CH3COO]- 556.04092 221.2
[M+Na-2H]- 518.00174 218.7
[M]+ 497.02652 221.4
[M]- 497.02762 221.4
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.