CID 387062

Nsc680452

Structural Information

Molecular Formula
C25H19N5O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC=O
InChI
InChI=1S/C25H19N5O5S/c1-15-13-22(29-35-15)30-36(33,34)17-11-9-16(10-12-17)27-23-18-5-2-3-8-21(18)28-24-19(23)6-4-7-20(24)25(32)26-14-31/h2-14H,1H3,(H,27,28)(H,29,30)(H,26,31,32)
InChIKey
DKQMNJRWTVQQGL-UHFFFAOYSA-N
Compound name
N-formyl-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

501.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.11798 214.7
[M+Na]+ 524.09992 223.1
[M-H]- 500.10342 225.3
[M+NH4]+ 519.14452 220.2
[M+K]+ 540.07386 218.3
[M+H-H2O]+ 484.10796 204.9
[M+HCOO]- 546.10890 231.7
[M+CH3COO]- 560.12455 223.0
[M+Na-2H]- 522.08537 222.3
[M]+ 501.11015 221.4
[M]- 501.11125 221.4
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.