CID 365396

Nsc633016

Structural Information

Molecular Formula
C26H21N5O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C26H21N5O5S2/c27-37(33,34)18-12-8-16(9-13-18)29-24-20-4-1-2-7-23(20)31-25-21(24)5-3-6-22(25)26(32)30-17-10-14-19(15-11-17)38(28,35)36/h1-15H,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)
InChIKey
ZWGXALUMXHXYSP-UHFFFAOYSA-N
Compound name
9-(4-sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

547.0984 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 548.10568 219.1
[M+Na]+ 570.08762 225.3
[M-H]- 546.09112 226.6
[M+NH4]+ 565.13222 222.3
[M+K]+ 586.06156 218.4
[M+H-H2O]+ 530.09566 209.3
[M+HCOO]- 592.09660 229.6
[M+CH3COO]- 606.11225 224.8
[M+Na-2H]- 568.07307 230.3
[M]+ 547.09785 221.1
[M]- 547.09895 221.1
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.