CID 170528

4-imidazolidinone, 5-[(3-ethyl-2(3h)-benzoxazolylidene)ethylidene]-1-methyl-3-(2-propenyl)-2-thioxo-

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CCN1C2=CC=CC=C2OC1=CC=C3C(=O)N(C(=S)N3C)CC=C
InChI
InChI=1S/C18H19N3O2S/c1-4-12-21-17(22)14(19(3)18(21)24)10-11-16-20(5-2)13-8-6-7-9-15(13)23-16/h4,6-11H,1,5,12H2,2-3H3
InChIKey
NQIIEHSSQQTWHL-UHFFFAOYSA-N
Compound name
5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.1198 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12708 186.1
[M+Na]+ 364.10902 197.1
[M+NH4]+ 359.15362 191.8
[M+K]+ 380.08296 191.9
[M-H]- 340.11252 188.0
[M+Na-2H]- 362.09447 186.1
[M]+ 341.11925 188.4
[M]- 341.12035 188.4
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