CID 385765

Nsc677159

Structural Information

Molecular Formula
C25H20N4O5S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C4=O
InChI
InChI=1S/C25H20N4O5S/c1-14-15(2)28-34-25(14)29-35(32,33)18-10-8-17(9-11-18)26-24(31)16-7-12-22-20(13-16)23(30)19-5-3-4-6-21(19)27-22/h3-13,29H,1-2H3,(H,26,31)(H,27,30)
InChIKey
XFAODVZUFBJNCF-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-9-oxo-10H-acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.11545 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.12273 214.6
[M+Na]+ 511.10467 224.2
[M-H]- 487.10817 224.4
[M+NH4]+ 506.14927 220.6
[M+K]+ 527.07861 218.7
[M+H-H2O]+ 471.11271 205.4
[M+HCOO]- 533.11365 229.0
[M+CH3COO]- 547.12930 223.0
[M+Na-2H]- 509.09012 219.8
[M]+ 488.11490 220.7
[M]- 488.11600 220.7
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.