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 175.4
[M+Na]+ 346.16250 180.4
[M-H]- 322.16600 178.5
[M+NH4]+ 341.20710 180.9
[M+K]+ 362.13644 176.8
[M+H-H2O]+ 306.17054 168.4
[M+HCOO]- 368.17148 186.2
[M+CH3COO]- 382.18713 209.0
[M+Na-2H]- 344.14795 170.9
[M]+ 323.17273 176.1
[M]- 323.17383 176.1
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.