CID 5746239

3'-methoxy-4'-(3-nitro-9-acridinylamino)ethanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C22H20N4O5S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C22H20N4O5S/c1-3-32(29,30)25-14-8-11-19(21(12-14)31-2)24-22-16-6-4-5-7-18(16)23-20-13-15(26(27)28)9-10-17(20)22/h4-13,25H,3H2,1-2H3,(H,23,24)
InChIKey
BCPPFWWVLOMAOB-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

452.11545 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.12273 199.7
[M+Na]+ 475.10467 205.7
[M-H]- 451.10817 206.7
[M+NH4]+ 470.14927 207.4
[M+K]+ 491.07861 196.1
[M+H-H2O]+ 435.11271 193.6
[M+HCOO]- 497.11365 217.2
[M+CH3COO]- 511.12930 229.8
[M+Na-2H]- 473.09012 211.0
[M]+ 452.11490 203.5
[M]- 452.11600 203.5
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.