CID 10994307

Dysideaproline f

Structural Information

Molecular Formula
C19H28Cl3N3O2S
SMILES
CC(CC(C(=O)N1CCCC1C2=NC=CS2)N(C)C(=O)CC(C)C(Cl)Cl)CCl
InChI
InChI=1S/C19H28Cl3N3O2S/c1-12(11-20)9-15(24(3)16(26)10-13(2)17(21)22)19(27)25-7-4-5-14(25)18-23-6-8-28-18/h6,8,12-15,17H,4-5,7,9-11H2,1-3H3
InChIKey
TXDKKEWSLZFYHQ-UHFFFAOYSA-N
Compound name
4,4-dichloro-N-[5-chloro-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

467.09677 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.10405 207.9
[M+Na]+ 490.08599 210.3
[M-H]- 466.08949 211.7
[M+NH4]+ 485.13059 219.1
[M+K]+ 506.05993 206.6
[M+H-H2O]+ 450.09403 201.6
[M+HCOO]- 512.09497 203.8
[M+CH3COO]- 526.11062 233.0
[M+Na-2H]- 488.07144 196.0
[M]+ 467.09622 213.1
[M]- 467.09732 213.1
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.