CID 365423

Nsc633043

Structural Information

Molecular Formula
C30H23ClN6O6S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N)Cl
InChI
InChI=1S/C30H23ClN6O6S2/c1-17-16-26(36-43-17)37-45(41,42)21-12-8-19(9-13-21)34-30(38)23-14-15-24(31)27-28(22-4-2-3-5-25(22)35-29(23)27)33-18-6-10-20(11-7-18)44(32,39)40/h2-16H,1H3,(H,33,35)(H,34,38)(H,36,37)(H2,32,39,40)
InChIKey
HCBNVLMHLFPZKA-UHFFFAOYSA-N
Compound name
1-chloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.08093 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.08821 244.7
[M+Na]+ 685.07015 252.3
[M-H]- 661.07365 256.8
[M+NH4]+ 680.11475 244.3
[M+K]+ 701.04409 247.4
[M+H-H2O]+ 645.07819 236.4
[M+HCOO]- 707.07913 251.1
[M+CH3COO]- 721.09478 249.9
[M+Na-2H]- 683.05560 254.5
[M]+ 662.08038 253.3
[M]- 662.08148 253.3
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.