CID 2179

Amsacrine

Structural Information

Molecular Formula

C₂₁H₁₉N₃O₃S

SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)

InChIKey

XCPGHVQEEXUHNC-UHFFFAOYSA-N

Compound name

N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1436
References: 114675
Patents: 393.11472 Da
Monoisotopic Mass: 4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	394.121996	189.6
[M+Na]+	416.103938	199.0
[M-H]-	392.107444	197.0
[M+NH4]+	411.148543	201.3
[M+K]+	432.077878	192.6
[M+H-H2O]+	376.111980	180.1
[M+HCOO]-	438.112921	207.2
[M+CH3COO]-	452.128571	199.7
[M+Na-2H]-	414.089386	198.8
[M]+	393.11417142	195.1
[M]-	393.11526858	195.1

Literature stripe

literature stripe

Patent stripe

patents stripe