CID 210436

21263-07-0

Structural Information

Molecular Formula
C22H30N2O2S
SMILES
CCOC(CC1=CC=CC=C1)N2CCN(CC2)CC(C)C(=O)C3=CC=CS3
InChI
InChI=1S/C22H30N2O2S/c1-3-26-21(16-19-8-5-4-6-9-19)24-13-11-23(12-14-24)17-18(2)22(25)20-10-7-15-27-20/h4-10,15,18,21H,3,11-14,16-17H2,1-2H3
InChIKey
GLTLNGVHXXCOEW-UHFFFAOYSA-N
Compound name
3-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2028 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.21008 194.9
[M+Na]+ 409.19202 196.7
[M-H]- 385.19552 200.3
[M+NH4]+ 404.23662 205.1
[M+K]+ 425.16596 192.4
[M+H-H2O]+ 369.20006 185.1
[M+HCOO]- 431.20100 204.6
[M+CH3COO]- 445.21665 218.2
[M+Na-2H]- 407.17747 189.2
[M]+ 386.20225 194.9
[M]- 386.20335 194.9
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.