CID 3046403

Diisopropyl 4-diethylaminoacetoxy-1,3-dithiolan-2-ylidene malonate

Structural Information

Molecular Formula
C18H29NO6S2
SMILES
CCN(CC)CC(=O)OC1CSC(=C(C(=O)OC(C)C)C(=O)OC(C)C)S1
InChI
InChI=1S/C18H29NO6S2/c1-7-19(8-2)9-13(20)25-14-10-26-18(27-14)15(16(21)23-11(3)4)17(22)24-12(5)6/h11-12,14H,7-10H2,1-6H3
InChIKey
SLRMMGMSSBPYTK-UHFFFAOYSA-N
Compound name
dipropan-2-yl 2-[4-[2-(diethylamino)acetyl]oxy-1,3-dithiolan-2-ylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

419.14362 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15090 196.5
[M+Na]+ 442.13284 197.5
[M+NH4]+ 437.17744 199.5
[M+K]+ 458.10678 195.3
[M-H]- 418.13634 193.4
[M+Na-2H]- 440.11829 193.5
[M]+ 419.14307 195.8
[M]- 419.14417 195.8
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

patents stripe