CID 11091361

Dysideaproline d

Structural Information

Molecular Formula
C19H29Cl2N3O2S
SMILES
CC(C)CC(=O)N(C)C(CC(C)C(Cl)Cl)C(=O)N1CCCC1C2=NC=CS2
InChI
InChI=1S/C19H29Cl2N3O2S/c1-12(2)10-16(25)23(4)15(11-13(3)17(20)21)19(26)24-8-5-6-14(24)18-22-7-9-27-18/h7,9,12-15,17H,5-6,8,10-11H2,1-4H3
InChIKey
DCNQGUXDRFBFHN-UHFFFAOYSA-N
Compound name
N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-N,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.13574 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.14302 203.9
[M+Na]+ 456.12496 206.4
[M-H]- 432.12846 208.6
[M+NH4]+ 451.16956 216.3
[M+K]+ 472.09890 203.4
[M+H-H2O]+ 416.13300 197.1
[M+HCOO]- 478.13394 204.7
[M+CH3COO]- 492.14959 229.2
[M+Na-2H]- 454.11041 192.4
[M]+ 433.13519 209.1
[M]- 433.13629 209.1
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.