CID 3072340

Brn 5448222

Structural Information

Molecular Formula
C14H19Cl2NO4
SMILES
COC1(C(=C(C(=O)C1(CC=C)Cl)Cl)N2CCOCC2)OC
InChI
InChI=1S/C14H19Cl2NO4/c1-4-5-13(16)12(18)10(15)11(14(13,19-2)20-3)17-6-8-21-9-7-17/h4H,1,5-9H2,2-3H3
InChIKey
KEIYAGYJHSHTTO-UHFFFAOYSA-N
Compound name
2,5-dichloro-4,4-dimethoxy-3-morpholin-4-yl-5-prop-2-enylcyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

335.06912 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.07640 168.0
[M+Na]+ 358.05834 177.3
[M-H]- 334.06184 173.3
[M+NH4]+ 353.10294 186.4
[M+K]+ 374.03228 173.6
[M+H-H2O]+ 318.06638 163.8
[M+HCOO]- 380.06732 176.8
[M+CH3COO]- 394.08297 204.6
[M+Na-2H]- 356.04379 169.7
[M]+ 335.06857 172.7
[M]- 335.06967 172.7
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.