CID 11015585

Dysideaproline e

Structural Information

Molecular Formula
C19H29Cl2N3O2S
SMILES
CC(C)CC(C(=O)N1CCCC1C2=NC=CS2)N(C)C(=O)CC(C)C(Cl)Cl
InChI
InChI=1S/C19H29Cl2N3O2S/c1-12(2)10-15(23(4)16(25)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
ANUFTPMAINMTEZ-UHFFFAOYSA-N
Compound name
4,4-dichloro-N,3-dimethyl-N-[4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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

patents stripe