CID 50343

69242-94-0

Structural Information

Molecular Formula
C26H29N3O3S
SMILES
CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C26H29N3O3S/c1-3-4-5-10-17-33(30,31)29-19-15-16-24(25(18-19)32-2)28-26-20-11-6-8-13-22(20)27-23-14-9-7-12-21(23)26/h6-9,11-16,18,29H,3-5,10,17H2,1-2H3,(H,27,28)
InChIKey
WVXIXBVAEFTGOJ-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

463.19296 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.20024 210.7
[M+Na]+ 486.18218 217.6
[M-H]- 462.18568 217.0
[M+NH4]+ 481.22678 219.4
[M+K]+ 502.15612 210.4
[M+H-H2O]+ 446.19022 200.1
[M+HCOO]- 508.19116 226.5
[M+CH3COO]- 522.20681 238.9
[M+Na-2H]- 484.16763 217.6
[M]+ 463.19241 217.6
[M]- 463.19351 217.6
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.