CID 385780

Nsc677174

Structural Information

Molecular Formula
C26H22N6O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C26H22N6O5S2/c27-38(34,35)18-12-8-16(9-13-18)29-26(33)22-6-3-5-21-24(22)30-23-7-2-1-4-20(23)25(21)32-31-17-10-14-19(15-11-17)39(28,36)37/h1-15,31H,(H,29,33)(H,30,32)(H2,27,34,35)(H2,28,36,37)
InChIKey
QQSKZGNXDLBLBX-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.1093 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.11658 218.1
[M+Na]+ 585.09852 223.4
[M-H]- 561.10202 225.3
[M+NH4]+ 580.14312 220.4
[M+K]+ 601.07246 216.8
[M+H-H2O]+ 545.10656 208.3
[M+HCOO]- 607.10750 229.6
[M+CH3COO]- 621.12315 223.4
[M+Na-2H]- 583.08397 231.0
[M]+ 562.10875 219.6
[M]- 562.10985 219.6
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.