CID 154963

Brn 5314289

Structural Information

Molecular Formula
C21H18FN3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)F
InChI
InChI=1S/C21H18FN3O3S/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
GCIGNQKLKKRBPH-UHFFFAOYSA-N
Compound name
N-[4-[(4-fluoroacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

411.1053 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.11258 193.4
[M+Na]+ 434.09452 203.6
[M-H]- 410.09802 199.8
[M+NH4]+ 429.13912 204.6
[M+K]+ 450.06846 196.9
[M+H-H2O]+ 394.10256 183.0
[M+HCOO]- 456.10350 209.8
[M+CH3COO]- 470.11915 203.2
[M+Na-2H]- 432.07997 201.3
[M]+ 411.10475 198.3
[M]- 411.10585 198.3
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.