CID 11173518

Salinosporamide b

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC[C@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O
InChI
InChI=1S/C15H21NO4/c1-3-10-12(18)16-15(13(19)20-14(10,15)2)11(17)9-7-5-4-6-8-9/h5,7,9-11,17H,3-4,6,8H2,1-2H3,(H,16,18)/t9-,10+,11+,14+,15+/m1/s1
InChIKey
SCJZQKFFYIGMCI-SHTIJGAHSA-N
Compound name
(1R,4R,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

70
Patents

279.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 163.4
[M+Na]+ 302.13628 168.1
[M-H]- 278.13978 167.1
[M+NH4]+ 297.18088 175.5
[M+K]+ 318.11022 168.7
[M+H-H2O]+ 262.14432 154.3
[M+HCOO]- 324.14526 175.3
[M+CH3COO]- 338.16091 197.3
[M+Na-2H]- 300.12173 164.8
[M]+ 279.14651 169.5
[M]- 279.14761 169.5
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

patents stripe