CID 149559

Brn 0459908

Structural Information

Molecular Formula
C21H20N4O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)N
InChI
InChI=1S/C21H20N4O3S/c1-28-20-12-14(25-29(2,26)27)8-10-18(20)24-21-15-5-3-4-6-17(15)23-19-11-13(22)7-9-16(19)21/h3-12,25H,22H2,1-2H3,(H,23,24)
InChIKey
LXDSICMNXVGBMG-UHFFFAOYSA-N
Compound name
N-[4-[(3-aminoacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

408.1256 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13288 193.4
[M+Na]+ 431.11482 207.8
[M+NH4]+ 426.15942 200.6
[M+K]+ 447.08876 198.3
[M-H]- 407.11832 199.4
[M+Na-2H]- 429.10027 202.1
[M]+ 408.12505 197.7
[M]- 408.12615 197.7
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.