CID 378333

Nsc660368

Structural Information

Molecular Formula
C18H23NO2S
SMILES
CC(C)C1CSC2N1C(=O)C2(C3CC3)OCC4=CC=CC=C4
InChI
InChI=1S/C18H23NO2S/c1-12(2)15-11-22-17-18(14-8-9-14,16(20)19(15)17)21-10-13-6-4-3-5-7-13/h3-7,12,14-15,17H,8-11H2,1-2H3
InChIKey
PVAYOPQURUHFJD-UHFFFAOYSA-N
Compound name
6-cyclopropyl-6-phenylmethoxy-2-propan-2-yl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.15224 166.7
[M+Na]+ 340.13418 173.2
[M-H]- 316.13768 175.4
[M+NH4]+ 335.17878 174.1
[M+K]+ 356.10812 172.3
[M+H-H2O]+ 300.14222 155.6
[M+HCOO]- 362.14316 179.1
[M+CH3COO]- 376.15881 210.7
[M+Na-2H]- 338.11963 165.6
[M]+ 317.14441 180.0
[M]- 317.14551 180.0
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

No patent data available for this compound.