CID 387057

Nsc680447

Structural Information

Molecular Formula
C24H19N5O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N
InChI
InChI=1S/C24H19N5O4S/c1-14-13-21(28-33-14)29-34(31,32)16-11-9-15(10-12-16)26-22-17-5-2-3-8-20(17)27-23-18(22)6-4-7-19(23)24(25)30/h2-13H,1H3,(H2,25,30)(H,26,27)(H,28,29)
InChIKey
DEDOREFUMLGDAP-UHFFFAOYSA-N
Compound name
9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.11578 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.12306 208.5
[M+Na]+ 496.10500 217.5
[M-H]- 472.10850 218.8
[M+NH4]+ 491.14960 215.2
[M+K]+ 512.07894 212.3
[M+H-H2O]+ 456.11304 199.0
[M+HCOO]- 518.11398 224.9
[M+CH3COO]- 532.12963 217.2
[M+Na-2H]- 494.09045 215.3
[M]+ 473.11523 213.6
[M]- 473.11633 213.6
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.