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
6
Annotation Hits

1435
References

117325
Patents

393.11472 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.12200 189.6
[M+Na]+ 416.10394 205.3
[M+NH4]+ 411.14854 197.6
[M+K]+ 432.07788 195.0
[M-H]- 392.10744 195.5
[M+Na-2H]- 414.08939 199.3
[M]+ 393.11417 194.2
[M]- 393.11527 194.2
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

patents stripe