CID 384537

Nsc674508

Structural Information

Molecular Formula
C28H27N7O4S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNCCO)C
InChI
InChI=1S/C28H27N7O4S/c1-17-16-18(2)31-28(30-17)35-40(38,39)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(37)34-29-14-15-36/h3-13,16,29,36H,14-15H2,1-2H3,(H,32,33)(H,34,37)(H,30,31,35)
InChIKey
XEWUQXLYVKSWLS-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

557.1845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 558.19178 225.2
[M+Na]+ 580.17372 231.0
[M-H]- 556.17722 231.3
[M+NH4]+ 575.21832 225.5
[M+K]+ 596.14766 223.7
[M+H-H2O]+ 540.18176 213.3
[M+HCOO]- 602.18270 238.5
[M+CH3COO]- 616.19835 230.2
[M+Na-2H]- 578.15917 234.9
[M]+ 557.18395 228.8
[M]- 557.18505 228.8
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.