CID 107678

4'-(9-acridinylamino)methanesulfonanilide

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H17N3O2S/c1-26(24,25)23-15-12-10-14(11-13-15)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13,23H,1H3,(H,21,22)
InChIKey
QDTNJAYLSJACEQ-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

38
Patents

363.10416 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 181.0
[M+Na]+ 386.09338 190.5
[M-H]- 362.09688 188.4
[M+NH4]+ 381.13798 193.9
[M+K]+ 402.06732 183.5
[M+H-H2O]+ 346.10142 172.0
[M+HCOO]- 408.10236 199.0
[M+CH3COO]- 422.11801 191.6
[M+Na-2H]- 384.07883 191.3
[M]+ 363.10361 184.5
[M]- 363.10471 184.5
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

patents stripe