CID 148795

Methanesulfonanilide, 3'-methoxy-4'-((3-trifluoromethyl-9-acridinyl)amino)-

Structural Information

Molecular Formula
C22H18F3N3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)C(F)(F)F
InChI
InChI=1S/C22H18F3N3O3S/c1-31-20-12-14(28-32(2,29)30)8-10-18(20)27-21-15-5-3-4-6-17(15)26-19-11-13(22(23,24)25)7-9-16(19)21/h3-12,28H,1-2H3,(H,26,27)
InChIKey
XHBMXGZTFHERDB-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[[3-(trifluoromethyl)acridin-9-yl]amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

461.1021 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.10938 205.3
[M+Na]+ 484.09132 215.4
[M-H]- 460.09482 208.9
[M+NH4]+ 479.13592 214.4
[M+K]+ 500.06526 208.3
[M+H-H2O]+ 444.09936 193.3
[M+HCOO]- 506.10030 217.6
[M+CH3COO]- 520.11595 236.3
[M+Na-2H]- 482.07677 212.7
[M]+ 461.10155 207.9
[M]- 461.10265 207.9
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.