CID 5361904

3'-methoxy-4'-(3-nitro-9-acridinylamino)-1-hexanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C26H28N4O5S
SMILES
CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C26H28N4O5S/c1-3-4-5-8-15-36(33,34)29-18-11-13-24(25(16-18)35-2)28-26-20-9-6-7-10-22(20)27-23-14-12-19(30(31)32)17-21(23)26/h6-7,9-14,16-17,29H,3-5,8,15H2,1-2H3,(H,27,28)
InChIKey
JCGCDYWZCHLDJC-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(2-nitroacridin-9-yl)amino]phenyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.17804 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.185316 217.1
[M+Na]+ 531.167258 221.1
[M-H]- 507.170764 223.2
[M+NH4]+ 526.211863 222.4
[M+K]+ 547.141198 210.9
[M+H-H2O]+ 491.175300 210.1
[M+HCOO]- 553.176241 233.1
[M+CH3COO]- 567.191891 241.3
[M+Na-2H]- 529.152706 226.5
[M]+ 508.17749142 222.0
[M]- 508.17858858 222.0
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.