CID 152602

Brn 0444770

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CS(=O)(=O)N
InChI
InChI=1S/C20H17N3O2S/c21-26(24,25)13-14-9-11-15(12-10-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-12H,13H2,(H,22,23)(H2,21,24,25)
InChIKey
QPLRHBSMCAJLGG-UHFFFAOYSA-N
Compound name
[4-(acridin-9-ylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.10416 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 181.4
[M+Na]+ 386.09338 190.9
[M-H]- 362.09688 188.3
[M+NH4]+ 381.13798 194.1
[M+K]+ 402.06732 183.6
[M+H-H2O]+ 346.10142 172.5
[M+HCOO]- 408.10236 198.7
[M+CH3COO]- 422.11801 191.7
[M+Na-2H]- 384.07883 190.7
[M]+ 363.10361 184.0
[M]- 363.10471 184.0
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.