CID 384534

Nsc674505

Structural Information

Molecular Formula
C28H27N5O7S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO
InChI
InChI=1S/C28H27N5O7S/c1-17-13-24(32-40-17)33-41(38,39)19-11-9-18(10-12-19)29-25-20-5-2-3-8-23(20)30-26-21(25)6-4-7-22(26)27(37)31-28(14-34,15-35)16-36/h2-13,34-36H,14-16H2,1H3,(H,29,30)(H,31,37)(H,32,33)
InChIKey
LZTRRHSDDPSGGT-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-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

577.16315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.17043 226.7
[M+Na]+ 600.15237 230.8
[M-H]- 576.15587 232.9
[M+NH4]+ 595.19697 226.8
[M+K]+ 616.12631 227.5
[M+H-H2O]+ 560.16041 217.8
[M+HCOO]- 622.16135 236.8
[M+CH3COO]- 636.17700 254.1
[M+Na-2H]- 598.13782 235.6
[M]+ 577.16260 232.1
[M]- 577.16370 232.1
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.