CID 5744071

Methanesulfonamide, n-(3-methoxy-4-((2-methoxy-1-nitro-9-acridinyl)amino)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H20N4O6S
SMILES
COC1=C(C2=C(C3=CC=CC=C3N=C2C=C1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)[N+](=O)[O-]
InChI
InChI=1S/C22H20N4O6S/c1-31-18-11-10-17-20(22(18)26(27)28)21(14-6-4-5-7-15(14)23-17)24-16-9-8-13(12-19(16)32-2)25-33(3,29)30/h4-12,25H,1-3H3,(H,23,24)
InChIKey
DXLUTWJDWVXRAN-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(2-methoxy-1-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.11035 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.11763 203.6
[M+Na]+ 491.09957 209.8
[M-H]- 467.10307 210.9
[M+NH4]+ 486.14417 210.6
[M+K]+ 507.07351 201.2
[M+H-H2O]+ 451.10761 197.4
[M+HCOO]- 513.10855 221.0
[M+CH3COO]- 527.12420 233.3
[M+Na-2H]- 489.08502 214.6
[M]+ 468.10980 209.0
[M]- 468.11090 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.