CID 3054855

Ethanesulfonanilide, 3'-methoxy-4'-(4-methoxy-9-acridinylamino)-, hydrochloride, hydrate

Structural Information

Molecular Formula
C23H23N3O4S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OC)OC
InChI
InChI=1S/C23H23N3O4S/c1-4-31(27,28)26-15-12-13-19(21(14-15)30-3)25-22-16-8-5-6-10-18(16)24-23-17(22)9-7-11-20(23)29-2/h5-14,26H,4H2,1-3H3,(H,24,25)
InChIKey
OHMCPUYRADRRQR-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(4-methoxyacridin-9-yl)amino]phenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.14093 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14821 202.3
[M+Na]+ 460.13015 217.4
[M+NH4]+ 455.17475 209.3
[M+K]+ 476.10409 207.3
[M-H]- 436.13365 207.7
[M+Na-2H]- 458.11560 210.8
[M]+ 437.14038 206.6
[M]- 437.14148 206.6
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.