CID 387059

Nsc680449

Structural Information

Molecular Formula
C24H18N4O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)O
InChI
InChI=1S/C24H18N4O5S/c1-14-13-21(27-33-14)28-34(31,32)16-11-9-15(10-12-16)25-22-17-5-2-3-8-20(17)26-23-18(22)6-4-7-19(23)24(29)30/h2-13H,1H3,(H,25,26)(H,27,28)(H,29,30)
InChIKey
JXIYFHDZUDPLFX-UHFFFAOYSA-N
Compound name
9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.0998 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.10708 208.1
[M+Na]+ 497.08902 217.2
[M-H]- 473.09252 217.7
[M+NH4]+ 492.13362 214.5
[M+K]+ 513.06296 212.3
[M+H-H2O]+ 457.09706 199.0
[M+HCOO]- 519.09800 222.9
[M+CH3COO]- 533.11365 216.8
[M+Na-2H]- 495.07447 214.8
[M]+ 474.09925 214.3
[M]- 474.10035 214.3
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.