CID 5488121

Brn 0464032

Structural Information

Molecular Formula
C21H18N4O5S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)[N+](=O)[O-]
InChI
InChI=1S/C21H18N4O5S/c1-30-19-12-13(24-31(2,28)29)10-11-17(19)23-20-14-6-3-4-8-16(14)22-21-15(20)7-5-9-18(21)25(26)27/h3-12,24H,1-2H3,(H,22,23)
InChIKey
HQCQBWGAGNRHBM-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

438.0998 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.10708 195.3
[M+Na]+ 461.08902 201.8
[M-H]- 437.09252 202.5
[M+NH4]+ 456.13362 203.6
[M+K]+ 477.06296 192.4
[M+H-H2O]+ 421.09706 189.5
[M+HCOO]- 483.09800 213.2
[M+CH3COO]- 497.11365 226.9
[M+Na-2H]- 459.07447 207.0
[M]+ 438.09925 198.8
[M]- 438.10035 198.8
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.