CID 452523

4,6-dithienyl-2(4-morpholino)pyr

Structural Information

Molecular Formula
C16H15N3OS2
SMILES
C1COCCN1C2=NC(=CC(=N2)C3=CC=CS3)C4=CC=CS4
InChI
InChI=1S/C16H15N3OS2/c1-3-14(21-9-1)12-11-13(15-4-2-10-22-15)18-16(17-12)19-5-7-20-8-6-19/h1-4,9-11H,5-8H2
InChIKey
WKXAICQVFXOQBR-UHFFFAOYSA-N
Compound name
4-(4,6-dithiophen-2-ylpyrimidin-2-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06564 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07292 169.7
[M+Na]+ 352.05486 180.7
[M-H]- 328.05836 180.4
[M+NH4]+ 347.09946 183.3
[M+K]+ 368.02880 175.9
[M+H-H2O]+ 312.06290 162.8
[M+HCOO]- 374.06384 181.7
[M+CH3COO]- 388.07949 181.5
[M+Na-2H]- 350.04031 167.8
[M]+ 329.06509 171.6
[M]- 329.06619 171.6
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.