CID 384527

Nsc674498

Structural Information

Molecular Formula
C28H26N6O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO)C
InChI
InChI=1S/C28H26N6O4S/c1-17-16-18(2)31-28(30-17)34-39(37,38)20-12-10-19(11-13-20)32-25-21-6-3-4-9-24(21)33-26-22(25)7-5-8-23(26)27(36)29-14-15-35/h3-13,16,35H,14-15H2,1-2H3,(H,29,36)(H,32,33)(H,30,31,34)
InChIKey
FGLYLAFLVHXJAK-UHFFFAOYSA-N
Compound name
9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.17365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.18093 225.6
[M+Na]+ 565.16287 232.3
[M-H]- 541.16637 231.8
[M+NH4]+ 560.20747 226.8
[M+K]+ 581.13681 224.7
[M+H-H2O]+ 525.17091 213.7
[M+HCOO]- 587.17185 237.9
[M+CH3COO]- 601.18750 231.0
[M+Na-2H]- 563.14832 233.8
[M]+ 542.17310 229.8
[M]- 542.17420 229.8
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.