CID 364444

Acridodimidine

Structural Information

Molecular Formula
C26H21N5O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C26H21N5O4S/c1-15-14-16(2)28-26(27-15)31-36(34,35)18-12-10-17(11-13-18)29-25(33)21-8-5-7-20-23(21)30-22-9-4-3-6-19(22)24(20)32/h3-14H,1-2H3,(H,29,33)(H,30,32)(H,27,28,31)
InChIKey
WLODZVNZJYFSJJ-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-oxo-10H-acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.13144 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.13872 217.7
[M+Na]+ 522.12066 226.7
[M-H]- 498.12416 224.5
[M+NH4]+ 517.16526 221.0
[M+K]+ 538.09460 218.4
[M+H-H2O]+ 482.12870 206.3
[M+HCOO]- 544.12964 229.8
[M+CH3COO]- 558.14529 224.4
[M+Na-2H]- 520.10611 225.2
[M]+ 499.13089 221.2
[M]- 499.13199 221.2
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.