CID 3057271

Acetic acid, 2-(3-(2-diethylaminoethyl)-4-oxo-2-thiazolidinylidene)-2-phenyl-, ethyl ester

Structural Information

Molecular Formula
C19H26N2O3S
SMILES
CCN(CC)CCN\1C(=O)CS/C1=C(\C2=CC=CC=C2)/C(=O)OCC
InChI
InChI=1S/C19H26N2O3S/c1-4-20(5-2)12-13-21-16(22)14-25-18(21)17(19(23)24-6-3)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3/b18-17+
InChIKey
FSVISPHULUFUBX-ISLYRVAYSA-N
Compound name
ethyl (2E)-2-[3-[2-(diethylamino)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1664 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17368 189.4
[M+Na]+ 385.15562 193.1
[M-H]- 361.15912 195.2
[M+NH4]+ 380.20022 203.1
[M+K]+ 401.12956 190.0
[M+H-H2O]+ 345.16366 181.0
[M+HCOO]- 407.16460 204.3
[M+CH3COO]- 421.18025 218.3
[M+Na-2H]- 383.14107 184.3
[M]+ 362.16585 193.3
[M]- 362.16695 193.3
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.