CID 3069935

85486-57-3

Structural Information

Molecular Formula
C16H28N2O3S
SMILES
CC1CC(CN(C1)C(=O)CC2(NC(C(S2)(C)C)C(=O)O)C)C
InChI
InChI=1S/C16H28N2O3S/c1-10-6-11(2)9-18(8-10)12(19)7-16(5)17-13(14(20)21)15(3,4)22-16/h10-11,13,17H,6-9H2,1-5H3,(H,20,21)
InChIKey
HMQNCLDYZGWGHS-UHFFFAOYSA-N
Compound name
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.18207 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18935 175.2
[M+Na]+ 351.17129 180.3
[M-H]- 327.17479 175.8
[M+NH4]+ 346.21589 191.7
[M+K]+ 367.14523 177.0
[M+H-H2O]+ 311.17933 170.8
[M+HCOO]- 373.18027 180.8
[M+CH3COO]- 387.19592 203.5
[M+Na-2H]- 349.15674 170.4
[M]+ 328.18152 172.8
[M]- 328.18262 172.8
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

patents stripe