CID 148871

Propanesulfonamide, n-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate

Structural Information

Molecular Formula
C23H23N3O3S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C23H23N3O3S/c1-3-14-30(27,28)26-16-12-13-21(22(15-16)29-2)25-23-17-8-4-6-10-19(17)24-20-11-7-5-9-18(20)23/h4-13,15,26H,3,14H2,1-2H3,(H,24,25)
InChIKey
BTBDLQXPXJJZGX-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

421.14603 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.153306 198.1
[M+Na]+ 444.135248 206.5
[M-H]- 420.138754 205.1
[M+NH4]+ 439.179853 208.6
[M+K]+ 460.109188 199.8
[M+H-H2O]+ 404.143290 188.2
[M+HCOO]- 466.144231 215.0
[M+CH3COO]- 480.159881 207.3
[M+Na-2H]- 442.120696 206.4
[M]+ 421.14548142 204.1
[M]- 421.14657858 204.1
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.