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]+ 422.15331 199.3
[M+Na]+ 444.13525 208.5
[M-H]- 420.13875 206.7
[M+NH4]+ 439.17985 210.1
[M+K]+ 460.10919 201.9
[M+H-H2O]+ 404.14329 189.5
[M+HCOO]- 466.14423 216.1
[M+CH3COO]- 480.15988 208.7
[M+Na-2H]- 442.12070 206.7
[M]+ 421.14548 205.7
[M]- 421.14658 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.