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 200.7
[M+Na]+ 463.11992 209.1
[M-H]- 439.12342 209.1
[M+NH4]+ 458.16452 208.3
[M+K]+ 479.09386 200.5
[M+H-H2O]+ 423.12796 189.3
[M+HCOO]- 485.12890 216.7
[M+CH3COO]- 499.14455 209.1
[M+Na-2H]- 461.10537 211.4
[M]+ 440.13015 203.3
[M]- 440.13125 203.3
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.