CID 3054884

Methanesulfonanilide, 3'-methoxy-4'-(4-methylcarbamoylmethylcarbamoyl-9-acridinylamino)-, hydrochloride

Structural Information

Molecular Formula
C25H25N5O5S
SMILES
CNC(=O)CNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C25H25N5O5S/c1-26-22(31)14-27-25(32)18-9-6-8-17-23(16-7-4-5-10-19(16)28-24(17)18)29-20-12-11-15(13-21(20)35-2)30-36(3,33)34/h4-13,30H,14H2,1-3H3,(H,26,31)(H,27,32)(H,28,29)
InChIKey
JDTMZNJPIGXXHZ-UHFFFAOYSA-N
Compound name
9-[4-(methanesulfonamido)-2-methoxyanilino]-N-[2-(methylamino)-2-oxoethyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

507.15765 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.16493 215.4
[M+Na]+ 530.14687 226.1
[M+NH4]+ 525.19147 219.5
[M+K]+ 546.12081 218.8
[M-H]- 506.15037 219.7
[M+Na-2H]- 528.13232 222.0
[M]+ 507.15710 218.3
[M]- 507.15820 218.3
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.