CID 3042569

59988-06-6

Structural Information

Molecular Formula
C23H22N4O3S
SMILES
CCC(=O)NC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C
InChI
InChI=1S/C23H22N4O3S/c1-3-22(28)24-17-12-13-19-21(14-17)26-20-7-5-4-6-18(20)23(19)25-15-8-10-16(11-9-15)27-31(2,29)30/h4-14,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKey
JLDRJBKWKCCLSW-UHFFFAOYSA-N
Compound name
N-[9-[4-(methanesulfonamido)anilino]acridin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

434.14127 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14855 199.7
[M+Na]+ 457.13049 213.2
[M+NH4]+ 452.17509 206.3
[M+K]+ 473.10443 203.7
[M-H]- 433.13399 205.2
[M+Na-2H]- 455.11594 208.3
[M]+ 434.14072 203.6
[M]- 434.14182 203.6
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.