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]+ 422.15331 198.1
[M+Na]+ 444.13525 206.5
[M-H]- 420.13875 205.1
[M+NH4]+ 439.17985 208.6
[M+K]+ 460.10919 199.8
[M+H-H2O]+ 404.14329 188.2
[M+HCOO]- 466.14423 215.0
[M+CH3COO]- 480.15988 207.3
[M+Na-2H]- 442.12070 206.4
[M]+ 421.14548 204.1
[M]- 421.14658 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.