CID 385754

Nsc677148

Structural Information

Molecular Formula
C30H24N6O6S2
SMILES
CC1=CC(=NO1)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)N
InChI
InChI=1S/C30H24N6O6S2/c1-18-16-28(35-42-18)36-44(40,41)23-13-9-20(10-14-23)32-29-24-4-2-3-5-26(24)34-27-15-6-19(17-25(27)29)30(37)33-21-7-11-22(12-8-21)43(31,38)39/h2-17H,1H3,(H,32,34)(H,33,37)(H,35,36)(H2,31,38,39)
InChIKey
MJICNSBAFUOGBG-UHFFFAOYSA-N
Compound name
9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.1199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.12718 237.4
[M+Na]+ 651.10912 243.9
[M-H]- 627.11262 248.9
[M+NH4]+ 646.15372 237.0
[M+K]+ 667.08306 239.1
[M+H-H2O]+ 611.11716 228.3
[M+HCOO]- 673.11810 248.0
[M+CH3COO]- 687.13375 242.7
[M+Na-2H]- 649.09457 248.1
[M]+ 628.11935 242.8
[M]- 628.12045 242.8
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.