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]+ 438.148206 202.1
[M+Na]+ 460.130148 210.9
[M-H]- 436.133654 209.4
[M+NH4]+ 455.174753 212.1
[M+K]+ 476.104088 205.1
[M+H-H2O]+ 420.138190 192.1
[M+HCOO]- 482.139131 219.0
[M+CH3COO]- 496.154781 233.8
[M+Na-2H]- 458.115596 209.9
[M]+ 437.14038142 209.9
[M]- 437.14147858 209.9
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.