CID 3046393

Diethyl (4-(((dipropylamino)acetyl)oxy)-1,3-dithiolan-2-ylidene)propanedioate

Structural Information

Molecular Formula
C18H29NO6S2
SMILES
CCCN(CCC)CC(=O)OC1CSC(=C(C(=O)OCC)C(=O)OCC)S1
InChI
InChI=1S/C18H29NO6S2/c1-5-9-19(10-6-2)11-13(20)25-14-12-26-18(27-14)15(16(21)23-7-3)17(22)24-8-4/h14H,5-12H2,1-4H3
InChIKey
QHNIGBCTAZCQDX-UHFFFAOYSA-N
Compound name
diethyl 2-[4-[2-(dipropylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14362 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15090 202.3
[M+Na]+ 442.13284 202.8
[M-H]- 418.13634 204.6
[M+NH4]+ 437.17744 214.5
[M+K]+ 458.10678 201.2
[M+H-H2O]+ 402.14088 195.1
[M+HCOO]- 464.14182 209.8
[M+CH3COO]- 478.15747 225.4
[M+Na-2H]- 440.11829 194.1
[M]+ 419.14307 210.3
[M]- 419.14417 210.3
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.