CID 363211

Nsc627889

Structural Information

Molecular Formula
C20H14ClN3O3S
SMILES
C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4N2O
InChI
InChI=1S/C20H14ClN3O3S/c21-14-9-11-15(12-10-14)28(26,27)23-22-13-18-16-5-1-3-7-19(16)24(25)20-8-4-2-6-17(18)20/h1-13,25H
InChIKey
AKVQBPNDJHCEFA-UHFFFAOYSA-N
Compound name
4-chloro-N-[(10-hydroxyacridin-9-ylidene)methylimino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.04443 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.05171 192.0
[M+Na]+ 434.03365 201.8
[M-H]- 410.03715 200.3
[M+NH4]+ 429.07825 204.5
[M+K]+ 450.00759 194.5
[M+H-H2O]+ 394.04169 183.4
[M+HCOO]- 456.04263 204.6
[M+CH3COO]- 470.05828 202.0
[M+Na-2H]- 432.01910 199.8
[M]+ 411.04388 197.2
[M]- 411.04498 197.2
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.