CID 51000839

F-17464 free base

Structural Information

Molecular Formula
C25H29N3O6S
SMILES
CS(=O)(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCC3=COC4=CC5=C(C=C4C3=O)OCO5
InChI
InChI=1S/C25H29N3O6S/c1-35(30,31)26-19-6-4-7-20(13-19)28-11-9-27(10-12-28)8-3-2-5-18-16-32-22-15-24-23(33-17-34-24)14-21(22)25(18)29/h4,6-7,13-16,26H,2-3,5,8-12,17H2,1H3
InChIKey
KLOYLPZTHLSRRB-UHFFFAOYSA-N
Compound name
N-[3-[4-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)butyl]piperazin-1-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

46
Patents

499.1777 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.18498 215.7
[M+Na]+ 522.16692 228.0
[M+NH4]+ 517.21152 220.8
[M+K]+ 538.14086 222.5
[M-H]- 498.17042 223.6
[M+Na-2H]- 520.15237 218.8
[M]+ 499.17715 220.1
[M]- 499.17825 220.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe