CID 6439108

Antibiotic s 632-b1

Structural Information

Molecular Formula
C17H25NO5
SMILES
CC1C(O1)/C(=C\C(C)C(=O)CC(CC2CC(=O)NC(=O)C2)O)/C
InChI
InChI=1S/C17H25NO5/c1-9(4-10(2)17-11(3)23-17)14(20)8-13(19)5-12-6-15(21)18-16(22)7-12/h4,9,11-13,17,19H,5-8H2,1-3H3,(H,18,21,22)/b10-4-
InChIKey
JEIOGENOOQCFDS-WMZJFQQLSA-N
Compound name
4-[(Z)-2-hydroxy-5-methyl-7-(3-methyloxiran-2-yl)-4-oxooct-6-enyl]piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.17328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18056 175.0
[M+Na]+ 346.16250 183.2
[M+NH4]+ 341.20710 179.1
[M+K]+ 362.13644 182.7
[M-H]- 322.16600 181.4
[M+Na-2H]- 344.14795 176.5
[M]+ 323.17273 178.5
[M]- 323.17383 178.5
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

No patent data available for this compound.