CID 365399

Nsc633019

Structural Information

Molecular Formula
C34H27N7O7S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C
InChI
InChI=1S/C34H27N7O7S2/c1-20-18-30(38-47-20)40-49(43,44)24-14-10-22(11-15-24)35-32-26-6-3-4-9-29(26)37-33-27(32)7-5-8-28(33)34(42)36-23-12-16-25(17-13-23)50(45,46)41-31-19-21(2)48-39-31/h3-19H,1-2H3,(H,35,37)(H,36,42)(H,38,40)(H,39,41)
InChIKey
WRBMHUKVLNULCZ-UHFFFAOYSA-N
Compound name
9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

709.14136 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.14864 251.4
[M+Na]+ 732.13058 258.6
[M-H]- 708.13408 267.5
[M+NH4]+ 727.17518 247.6
[M+K]+ 748.10452 256.3
[M+H-H2O]+ 692.13862 243.8
[M+HCOO]- 754.13956 263.2
[M+CH3COO]- 768.15521 256.7
[M+Na-2H]- 730.11603 263.8
[M]+ 709.14081 261.0
[M]- 709.14191 261.0
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.