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]+ 509.18532 215.6
[M+Na]+ 531.16726 229.5
[M+NH4]+ 526.21186 221.2
[M+K]+ 547.14120 222.1
[M-H]- 507.17076 221.6
[M+Na-2H]- 529.15271 223.0
[M]+ 508.17749 219.7
[M]- 508.17859 219.7
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.