CID 152606

Brn 0458341

Structural Information

Molecular Formula
C25H20N4O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CS(=O)(=O)NC5=CC=CC=N5
InChI
InChI=1S/C25H20N4O2S/c30-32(31,29-24-11-5-6-16-26-24)17-18-12-14-19(15-13-18)27-25-20-7-1-3-9-22(20)28-23-10-4-2-8-21(23)25/h1-16H,17H2,(H,26,29)(H,27,28)
InChIKey
XYADFDBJIZKXBS-UHFFFAOYSA-N
Compound name
1-[4-(acridin-9-ylamino)phenyl]-N-pyridin-2-ylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.1307 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13798 200.9
[M+Na]+ 463.11992 218.6
[M+NH4]+ 458.16452 209.0
[M+K]+ 479.09386 206.5
[M-H]- 439.12342 209.1
[M+Na-2H]- 461.10537 213.8
[M]+ 440.13015 206.5
[M]- 440.13125 206.5
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.