CID 454751

.alpha.-t morph deriv.

Structural Information

Molecular Formula
C17H17NOS3
SMILES
C1COCCN1CC2=CC=C(S2)C3=CC=C(S3)C4=CC=CS4
InChI
InChI=1S/C17H17NOS3/c1-2-14(20-11-1)15-5-6-17(22-15)16-4-3-13(21-16)12-18-7-9-19-10-8-18/h1-6,11H,7-10,12H2
InChIKey
WMXULQSGDAXKMM-UHFFFAOYSA-N
Compound name
4-[[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.04724 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.05452 177.3
[M+Na]+ 370.03646 189.1
[M-H]- 346.03996 190.4
[M+NH4]+ 365.08106 195.2
[M+K]+ 386.01040 184.5
[M+H-H2O]+ 330.04450 174.2
[M+HCOO]- 392.04544 187.6
[M+CH3COO]- 406.06109 189.6
[M+Na-2H]- 368.02191 172.3
[M]+ 347.04669 180.3
[M]- 347.04779 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.