CID 385752

Nsc677146

Structural Information

Molecular Formula
C36H31N7O7S2
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=C(C(=NO7)C)C
InChI
InChI=1S/C36H31N7O7S2/c1-20-22(3)40-49-35(20)42-51(45,46)27-14-10-25(11-15-27)37-33-29-7-5-6-8-31(29)39-32-18-9-24(19-30(32)33)34(44)38-26-12-16-28(17-13-26)52(47,48)43-36-21(2)23(4)41-50-36/h5-19,42-43H,1-4H3,(H,37,39)(H,38,44)
InChIKey
YULHHXLYDFKUPV-UHFFFAOYSA-N
Compound name
9-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

737.17267 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.17995 258.2
[M+Na]+ 760.16189 272.3
[M-H]- 736.16539 260.3
[M+NH4]+ 755.20649 265.1
[M+K]+ 776.13583 264.5
[M+H-H2O]+ 720.16993 244.3
[M+HCOO]- 782.17087 266.0
[M+CH3COO]- 796.18652 268.9
[M+Na-2H]- 758.14734 270.8
[M]+ 737.17212 301.2
[M]- 737.17322 301.2
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.