CID 149560

Brn 0459081

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
CCC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C23H23N3O3S/c1-4-15-9-11-18-21(13-15)24-19-8-6-5-7-17(19)23(18)25-20-12-10-16(14-22(20)29-2)26-30(3,27)28/h5-14,26H,4H2,1-3H3,(H,24,25)
InChIKey
FNSWVSQPRNEINM-UHFFFAOYSA-N
Compound name
N-[4-[(3-ethylacridin-9-yl)amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

421.14603 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.153306 199.3
[M+Na]+ 444.135248 208.5
[M-H]- 420.138754 206.7
[M+NH4]+ 439.179853 210.1
[M+K]+ 460.109188 201.9
[M+H-H2O]+ 404.143290 189.5
[M+HCOO]- 466.144231 216.1
[M+CH3COO]- 480.159881 208.7
[M+Na-2H]- 442.120696 206.7
[M]+ 421.14548142 205.7
[M]- 421.14657858 205.7
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.