CID 6482956

Schembl4987910

Structural Information

Molecular Formula
C23H21N3S
SMILES
C1CN(CCC1C2=CC=CC=C2)C3=NC(=CN=C3)C4=CSC5=CC=CC=C54
InChI
InChI=1S/C23H21N3S/c1-2-6-17(7-3-1)18-10-12-26(13-11-18)23-15-24-14-21(25-23)20-16-27-22-9-5-4-8-19(20)22/h1-9,14-16,18H,10-13H2
InChIKey
CXJFEPRLRBQKJC-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)-6-(4-phenylpiperidin-1-yl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

371.14563 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15291 187.4
[M+Na]+ 394.13485 195.8
[M-H]- 370.13835 196.7
[M+NH4]+ 389.17945 198.2
[M+K]+ 410.10879 187.2
[M+H-H2O]+ 354.14289 176.2
[M+HCOO]- 416.14383 200.5
[M+CH3COO]- 430.15948 196.6
[M+Na-2H]- 392.12030 188.4
[M]+ 371.14508 186.0
[M]- 371.14618 186.0
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

patents stripe