CID 385788

Nsc677182

Structural Information

Molecular Formula
C30H25N7O6S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N
InChI
InChI=1S/C30H25N7O6S2/c1-18-17-27(36-43-18)37-45(41,42)22-15-9-19(10-16-22)32-30(38)25-7-4-6-24-28(25)33-26-8-3-2-5-23(26)29(24)35-34-20-11-13-21(14-12-20)44(31,39)40/h2-17,34H,1H3,(H,32,38)(H,33,35)(H,36,37)(H2,31,39,40)
InChIKey
IOIDEIFFFOHQLF-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.1308 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.13808 236.0
[M+Na]+ 666.12002 241.5
[M-H]- 642.12352 247.3
[M+NH4]+ 661.16462 234.7
[M+K]+ 682.09396 237.0
[M+H-H2O]+ 626.12806 226.8
[M+HCOO]- 688.12900 247.5
[M+CH3COO]- 702.14465 240.9
[M+Na-2H]- 664.10547 248.6
[M]+ 643.13025 240.9
[M]- 643.13135 240.9
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.