CID 455384

Bhap thienyl pyridyl deriv.

Structural Information

Molecular Formula
C16H20N4OS
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CS3
InChI
InChI=1S/C16H20N4OS/c1-2-17-13-5-3-7-18-15(13)19-8-10-20(11-9-19)16(21)14-6-4-12-22-14/h3-7,12,17H,2,8-11H2,1H3
InChIKey
YWAULXJHUXWSTL-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-thiophen-2-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14305 173.0
[M+Na]+ 339.12499 178.7
[M-H]- 315.12849 178.4
[M+NH4]+ 334.16959 185.1
[M+K]+ 355.09893 173.6
[M+H-H2O]+ 299.13303 163.2
[M+HCOO]- 361.13397 186.4
[M+CH3COO]- 375.14962 182.3
[M+Na-2H]- 337.11044 172.2
[M]+ 316.13522 170.9
[M]- 316.13632 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.