CID 387055

Nsc680445

Structural Information

Molecular Formula
C32H26N6O5S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)NC(=O)C
InChI
InChI=1S/C32H26N6O5S/c1-19-18-29(37-43-19)38-44(41,42)24-16-14-22(15-17-24)34-30-25-6-3-4-9-28(25)36-31-26(30)7-5-8-27(31)32(40)35-23-12-10-21(11-13-23)33-20(2)39/h3-18H,1-2H3,(H,33,39)(H,34,36)(H,35,40)(H,37,38)
InChIKey
HRNJMPZYYJCFHO-UHFFFAOYSA-N
Compound name
N-(4-acetamidophenyl)-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.1685 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.17578 237.1
[M+Na]+ 629.15772 242.5
[M-H]- 605.16122 249.9
[M+NH4]+ 624.20232 237.3
[M+K]+ 645.13166 238.2
[M+H-H2O]+ 589.16576 225.8
[M+HCOO]- 651.16670 252.4
[M+CH3COO]- 665.18235 242.8
[M+Na-2H]- 627.14317 244.1
[M]+ 606.16795 242.4
[M]- 606.16905 242.4
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.