CID 6436036

Ozolinone

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
CN1/C(=C/C(=O)O)/SC(C1=O)N2CCCCC2
InChI
InChI=1S/C11H16N2O3S/c1-12-8(7-9(14)15)17-11(10(12)16)13-5-3-2-4-6-13/h7,11H,2-6H2,1H3,(H,14,15)/b8-7-
InChIKey
NQFBZYYUAFJYNS-FPLPWBNLSA-N
Compound name
(2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

25
References

94
Patents

256.08817 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 159.0
[M+Na]+ 279.077388 164.7
[M-H]- 255.080894 161.1
[M+NH4]+ 274.121993 174.7
[M+K]+ 295.051328 161.3
[M+H-H2O]+ 239.085430 152.3
[M+HCOO]- 301.086371 168.9
[M+CH3COO]- 315.102021 188.8
[M+Na-2H]- 277.062836 154.6
[M]+ 256.08762142 155.0
[M]- 256.08871858 155.0
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