CID 5270857

514831-93-7

Structural Information

Molecular Formula
C24H19N5O3S
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H19N5O3S/c1-32-17-9-12-22-20(15-17)23(19-5-2-3-6-21(19)28-22)27-16-7-10-18(11-8-16)33(30,31)29-24-25-13-4-14-26-24/h2-15H,1H3,(H,27,28)(H,25,26,29)
InChIKey
RFQXEGSHKKZBEY-UHFFFAOYSA-N
Compound name
4-[(2-methoxyacridin-9-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

457.12085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.12813 205.1
[M+Na]+ 480.11007 214.3
[M-H]- 456.11357 212.7
[M+NH4]+ 475.15467 210.7
[M+K]+ 496.08401 206.3
[M+H-H2O]+ 440.11811 193.2
[M+HCOO]- 502.11905 220.1
[M+CH3COO]- 516.13470 213.1
[M+Na-2H]- 478.09552 215.9
[M]+ 457.12030 209.4
[M]- 457.12140 209.4
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.