CID 9578823

Nsc627741

Structural Information

Molecular Formula
C21H17ClN3O2S
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)/C=N/NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN3O2S/c1-25-20-8-4-2-6-17(20)19(18-7-3-5-9-21(18)25)14-23-24-28(26,27)16-12-10-15(22)11-13-16/h2-14H,1H3/p+1
InChIKey
DNZKRMUOGHAEIU-UHFFFAOYSA-O
Compound name
4-chloro-N-[(E)-(10-methylacridin-10-ium-9-yl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.073 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08028 194.6
[M+Na]+ 433.06222 205.0
[M-H]- 409.06572 203.4
[M+NH4]+ 428.10682 206.9
[M+K]+ 449.03616 191.7
[M+H-H2O]+ 393.07026 188.2
[M+HCOO]- 455.07120 208.7
[M+CH3COO]- 469.08685 219.5
[M+Na-2H]- 431.04767 205.5
[M]+ 410.07245 200.6
[M]- 410.07355 200.6
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.