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]+ 387.210076 194.9
[M+Na]+ 409.192018 196.7
[M-H]- 385.195524 200.3
[M+NH4]+ 404.236623 205.1
[M+K]+ 425.165958 192.4
[M+H-H2O]+ 369.200060 185.1
[M+HCOO]- 431.201001 204.6
[M+CH3COO]- 445.216651 218.2
[M+Na-2H]- 407.177466 189.2
[M]+ 386.20225142 194.9
[M]- 386.20334858 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.