CID 365426

Nsc633046

Structural Information

Molecular Formula
C32H26ClN7O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)Cl)C
InChI
InChI=1S/C32H26ClN7O5S2/c1-18-16-19(2)36-32(35-18)40-47(44,45)24-13-9-21(10-14-24)37-29-25-15-6-20(33)17-28(25)39-30-26(29)4-3-5-27(30)31(41)38-22-7-11-23(12-8-22)46(34,42)43/h3-17H,1-2H3,(H,37,39)(H,38,41)(H2,34,42,43)(H,35,36,40)
InChIKey
UHYNFRILRIDOCV-UHFFFAOYSA-N
Compound name
6-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

687.11255 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 688.11983 247.8
[M+Na]+ 710.10177 254.7
[M-H]- 686.10527 256.8
[M+NH4]+ 705.14637 244.3
[M+K]+ 726.07571 247.2
[M+H-H2O]+ 670.10981 237.1
[M+HCOO]- 732.11075 251.5
[M+CH3COO]- 746.12640 251.2
[M+Na-2H]- 708.08722 259.1
[M]+ 687.11200 254.3
[M]- 687.11310 254.3
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.