CID 6482712

Schembl4991950

Structural Information

Molecular Formula
C19H19N5OS
SMILES
CC(=O)C1=CC=C(S1)C2=CN=CC(=N2)N3CCN(CC3)C4=CC=NC=C4
InChI
InChI=1S/C19H19N5OS/c1-14(25)17-2-3-18(26-17)16-12-21-13-19(22-16)24-10-8-23(9-11-24)15-4-6-20-7-5-15/h2-7,12-13H,8-11H2,1H3
InChIKey
ROSSOKJEMLMASJ-UHFFFAOYSA-N
Compound name
1-[5-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazin-2-yl]thiophen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.13104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13832 185.6
[M+Na]+ 388.12026 193.1
[M-H]- 364.12376 191.7
[M+NH4]+ 383.16486 192.8
[M+K]+ 404.09420 186.0
[M+H-H2O]+ 348.12830 173.9
[M+HCOO]- 410.12924 195.5
[M+CH3COO]- 424.14489 193.8
[M+Na-2H]- 386.10571 183.7
[M]+ 365.13049 183.8
[M]- 365.13159 183.8
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.