CID 149576

Brn 5173412

Structural Information

Molecular Formula
C27H23N3O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C27H23N3O3S/c1-33-25-17-19(30-34(2,31)32)15-16-24(25)29-27-21-11-6-7-14-23(21)28-26-20(12-8-13-22(26)27)18-9-4-3-5-10-18/h3-17,30H,1-2H3,(H,28,29)
InChIKey
JSOQDHUXTPVCPG-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(4-phenylacridin-9-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

469.14603 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.15331 211.2
[M+Na]+ 492.13525 219.8
[M-H]- 468.13875 221.2
[M+NH4]+ 487.17985 219.2
[M+K]+ 508.10919 212.3
[M+H-H2O]+ 452.14329 199.8
[M+HCOO]- 514.14423 227.7
[M+CH3COO]- 528.15988 219.6
[M+Na-2H]- 490.12070 219.3
[M]+ 469.14548 216.0
[M]- 469.14658 216.0
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.