CID 217977

Brn 0571341

Structural Information

Molecular Formula
C17H26N2O3S
SMILES
C1CCC(CC1)N=C2N(C(=O)C(S2)CC(=O)O)C3CCCCC3
InChI
InChI=1S/C17H26N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h12-14H,1-11H2,(H,20,21)
InChIKey
WOUSFTXLCCZSQY-UHFFFAOYSA-N
Compound name
2-(3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.1664 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17368 181.4
[M+Na]+ 361.15562 182.2
[M-H]- 337.15912 187.4
[M+NH4]+ 356.20022 194.6
[M+K]+ 377.12956 178.4
[M+H-H2O]+ 321.16366 173.3
[M+HCOO]- 383.16460 190.3
[M+CH3COO]- 397.18025 208.6
[M+Na-2H]- 359.14107 175.2
[M]+ 338.16585 173.5
[M]- 338.16695 173.5
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