CID 385781

Nsc677175

Structural Information

Molecular Formula
C32H28N8O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C
InChI
InChI=1S/C32H28N8O5S2/c1-19-18-20(2)35-32(34-19)40-47(44,45)24-16-12-22(13-17-24)38-39-30-25-6-3-4-9-28(25)37-29-26(30)7-5-8-27(29)31(41)36-21-10-14-23(15-11-21)46(33,42)43/h3-18,38H,1-2H3,(H,36,41)(H,37,39)(H2,33,42,43)(H,34,35,40)
InChIKey
KEBNCKUSOZYVCY-UHFFFAOYSA-N
Compound name
9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-(4-sulfamoylphenyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.1624 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.16968 241.1
[M+Na]+ 691.15162 246.0
[M-H]- 667.15512 249.3
[M+NH4]+ 686.19622 236.7
[M+K]+ 707.12556 238.7
[M+H-H2O]+ 651.15966 229.7
[M+HCOO]- 713.16060 249.8
[M+CH3COO]- 727.17625 244.1
[M+Na-2H]- 689.13707 255.1
[M]+ 668.16185 244.0
[M]- 668.16295 244.0
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.