CID 3042152

59160-30-4

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(C3=CC=CS3)O
InChI
InChI=1S/C17H22N2OS/c1-14-5-2-3-6-15(14)19-10-8-18(9-11-19)13-16(20)17-7-4-12-21-17/h2-7,12,16,20H,8-11,13H2,1H3
InChIKey
NIWDVCQSZOMGKE-UHFFFAOYSA-N
Compound name
2-[4-(2-methylphenyl)piperazin-1-yl]-1-thiophen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 170.8
[M+Na]+ 325.13452 176.1
[M-H]- 301.13802 176.0
[M+NH4]+ 320.17912 184.5
[M+K]+ 341.10846 170.9
[M+H-H2O]+ 285.14256 162.2
[M+HCOO]- 347.14350 182.4
[M+CH3COO]- 361.15915 180.3
[M+Na-2H]- 323.11997 168.3
[M]+ 302.14475 168.2
[M]- 302.14585 168.2
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.