CID 370670

Nsc644046

Structural Information

Molecular Formula
C24H18N4O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43
InChI
InChI=1S/C24H18N4O4S/c1-15-13-22(27-32-15)28-33(30,31)19-11-9-18(10-12-19)25-24(29)20-7-4-6-17-14-16-5-2-3-8-21(16)26-23(17)20/h2-14H,1H3,(H,25,29)(H,27,28)
InChIKey
KKVKRNDSGZWACU-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1049 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11218 205.9
[M+Na]+ 481.09412 215.2
[M-H]- 457.09762 216.5
[M+NH4]+ 476.13872 213.6
[M+K]+ 497.06806 210.0
[M+H-H2O]+ 441.10216 196.4
[M+HCOO]- 503.10310 222.0
[M+CH3COO]- 517.11875 215.1
[M+Na-2H]- 479.07957 212.9
[M]+ 458.10435 211.9
[M]- 458.10545 211.9
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.