CID 149564

Brn 5163691

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
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 192.6
[M+Na]+ 431.11482 201.9
[M-H]- 407.11832 199.7
[M+NH4]+ 426.15942 203.4
[M+K]+ 447.08876 195.5
[M+H-H2O]+ 391.12286 183.2
[M+HCOO]- 453.12380 210.5
[M+CH3COO]- 467.13945 202.2
[M+Na-2H]- 429.10027 201.2
[M]+ 408.12505 197.0
[M]- 408.12615 197.0
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.