CID 5270852

4-[(6-chloro-2-methoxy-acridin-9-yl)amino]-n-pyrimidin-2-yl-benzenesulfonamide

Structural Information

Molecular Formula
C24H18ClN5O3S
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H18ClN5O3S/c1-33-17-6-10-21-20(14-17)23(19-9-3-15(25)13-22(19)29-21)28-16-4-7-18(8-5-16)34(31,32)30-24-26-11-2-12-27-24/h2-14H,1H3,(H,28,29)(H,26,27,30)
InChIKey
NFIVGYHFLXKBDG-UHFFFAOYSA-N
Compound name
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.08188 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.08916 211.3
[M+Na]+ 514.07110 221.8
[M-H]- 490.07460 219.2
[M+NH4]+ 509.11570 216.7
[M+K]+ 530.04504 213.3
[M+H-H2O]+ 474.07914 199.9
[M+HCOO]- 536.08008 221.8
[M+CH3COO]- 550.09573 219.2
[M+Na-2H]- 512.05655 221.0
[M]+ 491.08133 218.5
[M]- 491.08243 218.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.