CID 112559

63123-23-9

Structural Information

Molecular Formula
C21H26N2O3S
SMILES
CCCCCCCN1C(=O)C(=CC=C2N(C3=CC=CC=C3O2)CC)OC1=S
InChI
InChI=1S/C21H26N2O3S/c1-3-5-6-7-10-15-23-20(24)18(26-21(23)27)13-14-19-22(4-2)16-11-8-9-12-17(16)25-19/h8-9,11-14H,3-7,10,15H2,1-2H3
InChIKey
MYVBWGAQWCPQTP-UHFFFAOYSA-N
Compound name
5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-3-heptyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1664 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17368 197.5
[M+Na]+ 409.15562 207.5
[M+NH4]+ 404.20022 203.0
[M+K]+ 425.12956 202.1
[M-H]- 385.15912 201.0
[M+Na-2H]- 407.14107 196.6
[M]+ 386.16585 200.1
[M]- 386.16695 200.1
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.