CID 10972995

Dysideaproline c

Structural Information

Molecular Formula
C18H25Cl4N3O2S
SMILES
CC(CC(C(=O)N1CCCC1C2=NC=CS2)NC(=O)CC(C)C(Cl)Cl)C(Cl)Cl
InChI
InChI=1S/C18H25Cl4N3O2S/c1-10(15(19)20)8-12(24-14(26)9-11(2)16(21)22)18(27)25-6-3-4-13(25)17-23-5-7-28-17/h5,7,10-13,15-16H,3-4,6,8-9H2,1-2H3,(H,24,26)
InChIKey
XBWIEMGIJNHGIK-UHFFFAOYSA-N
Compound name
4,4-dichloro-N-[5,5-dichloro-4-methyl-1-oxo-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]pentan-2-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.04214 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.04942 206.4
[M+Na]+ 510.03136 208.3
[M-H]- 486.03486 207.6
[M+NH4]+ 505.07596 215.9
[M+K]+ 526.00530 204.1
[M+H-H2O]+ 470.03940 201.0
[M+HCOO]- 532.04034 196.3
[M+CH3COO]- 546.05599 232.1
[M+Na-2H]- 508.01681 194.1
[M]+ 487.04159 208.6
[M]- 487.04269 208.6
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

No patent data available for this compound.