CID 391385

Nsc690558

Structural Information

Molecular Formula
C20H15ClN2O4S
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C20H15ClN2O4S/c21-13-4-9-16-18(10-13)27-20-12(2-1-3-17(20)19(16)24)11-23-14-5-7-15(8-6-14)28(22,25)26/h1-10,23H,11H2,(H2,22,25,26)
InChIKey
GGHSLRUUWOQUIQ-UHFFFAOYSA-N
Compound name
4-[(6-chloro-9-oxoxanthen-4-yl)methylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0441 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.05138 192.8
[M+Na]+ 437.03332 204.5
[M-H]- 413.03682 202.5
[M+NH4]+ 432.07792 204.8
[M+K]+ 453.00726 198.6
[M+H-H2O]+ 397.04136 185.3
[M+HCOO]- 459.04230 206.6
[M+CH3COO]- 473.05795 203.8
[M+Na-2H]- 435.01877 200.9
[M]+ 414.04355 200.9
[M]- 414.04465 200.9
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.