CID 9948667

Pl-611

Structural Information

Molecular Formula
C13H16N2O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C3C2COCOC3
InChI
InChI=1S/C13H16N2O5S/c1-9(16)14-10-2-4-11(5-3-10)21(17,18)15-12-6-19-8-20-7-13(12)15/h2-5,12-13H,6-8H2,1H3,(H,14,16)
InChIKey
AEDPBBOGLHONFN-UHFFFAOYSA-N
Compound name
N-[4-(3,5-dioxa-8-azabicyclo[5.1.0]octan-8-ylsulfonyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.078 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.08528 176.9
[M+Na]+ 335.06722 186.3
[M+NH4]+ 330.11182 182.6
[M+K]+ 351.04116 183.5
[M-H]- 311.07072 186.2
[M+Na-2H]- 333.05267 181.3
[M]+ 312.07745 182.2
[M]- 312.07855 182.2
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.