CID 25002039

919101-27-2

Structural Information

Molecular Formula
C14H14N2O2S2
SMILES
C1=CSC(=C1)C2C(N2)C3N4C(C4C5=CC=CS5)C(O3)O
InChI
InChI=1S/C14H14N2O2S2/c17-14-12-11(8-4-2-6-20-8)16(12)13(18-14)10-9(15-10)7-3-1-5-19-7/h1-6,9-15,17H
InChIKey
RYUJUWWXTHBUSR-UHFFFAOYSA-N
Compound name
6-thiophen-2-yl-2-(3-thiophen-2-ylaziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.04968 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05696 153.5
[M+Na]+ 329.03890 164.9
[M-H]- 305.04240 163.1
[M+NH4]+ 324.08350 160.6
[M+K]+ 345.01284 160.7
[M+H-H2O]+ 289.04694 151.6
[M+HCOO]- 351.04788 163.5
[M+CH3COO]- 365.06353 163.8
[M+Na-2H]- 327.02435 150.2
[M]+ 306.04913 160.9
[M]- 306.05023 160.9
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