CID 384530

Nsc674501

Structural Information

Molecular Formula
C26H23N5O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO
InChI
InChI=1S/C26H23N5O5S/c1-16-15-23(30-36-16)31-37(34,35)18-11-9-17(10-12-18)28-24-19-5-2-3-8-22(19)29-25-20(24)6-4-7-21(25)26(33)27-13-14-32/h2-12,15,32H,13-14H2,1H3,(H,27,33)(H,28,29)(H,30,31)
InChIKey
WPXNGDFALRIPKY-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-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

517.14197 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.14925 217.2
[M+Na]+ 540.13119 224.3
[M-H]- 516.13469 226.3
[M+NH4]+ 535.17579 221.5
[M+K]+ 556.10513 219.4
[M+H-H2O]+ 500.13923 207.5
[M+HCOO]- 562.14017 232.2
[M+CH3COO]- 576.15582 224.5
[M+Na-2H]- 538.11664 224.4
[M]+ 517.14142 223.3
[M]- 517.14252 223.3
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.