CID 43156

N-(4-(acridin-9-ylamino)-3-methoxyphenyl)butanesulfonamide methanesulfonate

Structural Information

Molecular Formula
C24H25N3O3S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C24H25N3O3S/c1-3-4-15-31(28,29)27-17-13-14-22(23(16-17)30-2)26-24-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)24/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,26)
InChIKey
VIUFFRIXTDUOPP-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

435.16165 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.16893 202.3
[M+Na]+ 458.15087 210.3
[M-H]- 434.15437 209.1
[M+NH4]+ 453.19547 212.3
[M+K]+ 474.12481 203.4
[M+H-H2O]+ 418.15891 192.2
[M+HCOO]- 480.15985 218.9
[M+CH3COO]- 494.17550 233.2
[M+Na-2H]- 456.13632 210.1
[M]+ 435.16110 208.7
[M]- 435.16220 208.7
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.