CID 154965

Brn 5314290

Structural Information

Molecular Formula
C21H18ClN3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)Cl
InChI
InChI=1S/C21H18ClN3O3S/c1-28-19-12-13(25-29(2,26)27)10-11-18(19)24-20-14-6-3-4-9-17(14)23-21-15(20)7-5-8-16(21)22/h3-12,25H,1-2H3,(H,23,24)
InChIKey
CFNPAJVHZJVQEQ-UHFFFAOYSA-N
Compound name
N-[4-[(4-chloroacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

427.07574 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.08302 196.5
[M+Na]+ 450.06496 207.4
[M-H]- 426.06846 204.2
[M+NH4]+ 445.10956 208.1
[M+K]+ 466.03890 200.1
[M+H-H2O]+ 410.07300 188.0
[M+HCOO]- 472.07394 209.6
[M+CH3COO]- 486.08959 206.6
[M+Na-2H]- 448.05041 204.6
[M]+ 427.07519 204.9
[M]- 427.07629 204.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.