CID 44416

Brn 0503449

Structural Information

Molecular Formula
C22H20N4O4S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N
InChI
InChI=1S/C22H20N4O4S/c1-30-19-12-13(26-31(2,28)29)10-11-18(19)25-20-14-6-3-4-9-17(14)24-21-15(20)7-5-8-16(21)22(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)
InChIKey
IPFBLTKAVDEMNZ-UHFFFAOYSA-N
Compound name
9-[4-(methanesulfonamido)-2-methoxyanilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

436.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.12778 199.2
[M+Na]+ 459.10972 207.3
[M-H]- 435.11322 206.0
[M+NH4]+ 454.15432 208.3
[M+K]+ 475.08366 201.7
[M+H-H2O]+ 419.11776 189.6
[M+HCOO]- 481.11870 215.9
[M+CH3COO]- 495.13435 236.2
[M+Na-2H]- 457.09517 206.7
[M]+ 436.11995 203.9
[M]- 436.12105 203.9
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.