CID 3047276

1-propanesulfonanilide, 3'-methoxy-4'-(4-(alpha-d-1-o-methyl-glucopyranosid-2-ylcarbamoyl)-9-acridinylamino)-, hydrochloride

Structural Information

Molecular Formula
C31H36N4O9S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N[C@@H]5[C@H]([C@@H]([C@H](O[C@@H]5OC)CO)O)O)OC
InChI
InChI=1S/C31H36N4O9S/c1-4-14-45(40,41)35-17-12-13-22(23(15-17)42-2)33-25-18-8-5-6-11-21(18)32-26-19(25)9-7-10-20(26)30(39)34-27-29(38)28(37)24(16-36)44-31(27)43-3/h5-13,15,24,27-29,31,35-38H,4,14,16H2,1-3H3,(H,32,33)(H,34,39)/t24-,27-,28-,29-,31+/m1/s1
InChIKey
FYRUNRNFVKAFKD-JQUYAQERSA-N
Compound name
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-9-[2-methoxy-4-(propylsulfonylamino)anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

640.2203 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 641.22758 247.9
[M+Na]+ 663.20952 257.0
[M+NH4]+ 658.25412 249.3
[M+K]+ 679.18346 251.7
[M-H]- 639.21302 252.7
[M+Na-2H]- 661.19497 250.6
[M]+ 640.21975 250.6
[M]- 640.22085 250.6
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.