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 217.1
[M+Na]+ 531.16726 221.1
[M-H]- 507.17076 223.2
[M+NH4]+ 526.21186 222.4
[M+K]+ 547.14120 210.9
[M+H-H2O]+ 491.17530 210.1
[M+HCOO]- 553.17624 233.1
[M+CH3COO]- 567.19189 241.3
[M+Na-2H]- 529.15271 226.5
[M]+ 508.17749 222.0
[M]- 508.17859 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.