CID 149775

Brn 5314959

Structural Information

Molecular Formula
C22H21N3O4S
SMILES
COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C22H21N3O4S/c1-28-15-9-10-17-20(13-15)23-18-7-5-4-6-16(18)22(17)24-19-11-8-14(12-21(19)29-2)25-30(3,26)27/h4-13,25H,1-3H3,(H,23,24)
InChIKey
LWHSITACPOOWQH-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(3-methoxyacridin-9-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

423.12527 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13255 197.9
[M+Na]+ 446.11449 207.1
[M-H]- 422.11799 205.4
[M+NH4]+ 441.15909 208.4
[M+K]+ 462.08843 201.6
[M+H-H2O]+ 406.12253 188.0
[M+HCOO]- 468.12347 215.1
[M+CH3COO]- 482.13912 231.0
[M+Na-2H]- 444.09994 206.1
[M]+ 423.12472 205.4
[M]- 423.12582 205.4
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.