CID 6433301

Brn 1003644

Structural Information

Molecular Formula
C18H19NO2S
SMILES
C1COCCN1CC(=O)/C=C(\C2=CC=CC=C2)/C3=CC=CS3
InChI
InChI=1S/C18H19NO2S/c20-16(14-19-8-10-21-11-9-19)13-17(18-7-4-12-22-18)15-5-2-1-3-6-15/h1-7,12-13H,8-11,14H2/b17-13+
InChIKey
OIGCKKVOMDGTIV-GHRIWEEISA-N
Compound name
(E)-1-morpholin-4-yl-4-phenyl-4-thiophen-2-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.11365 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.12093 174.3
[M+Na]+ 336.10287 178.2
[M-H]- 312.10637 182.2
[M+NH4]+ 331.14747 187.5
[M+K]+ 352.07681 174.7
[M+H-H2O]+ 296.11091 166.0
[M+HCOO]- 358.11185 187.2
[M+CH3COO]- 372.12750 183.9
[M+Na-2H]- 334.08832 172.6
[M]+ 313.11310 172.4
[M]- 313.11420 172.4
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

No patent data available for this compound.