CID 3070508

Brn 5625566

Structural Information

Molecular Formula
C19H24N4OS
SMILES
CSC1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4OS/c1-25-17-7-5-16(6-8-17)21-19(24)9-11-22-12-14-23(15-13-22)18-4-2-3-10-20-18/h2-8,10H,9,11-15H2,1H3,(H,21,24)
InChIKey
GUWLHBGNZVSJCJ-UHFFFAOYSA-N
Compound name
N-(4-methylsulfanylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

356.16708 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17436 183.2
[M+Na]+ 379.15630 195.8
[M+NH4]+ 374.20090 190.3
[M+K]+ 395.13024 186.0
[M-H]- 355.15980 188.4
[M+Na-2H]- 377.14175 191.6
[M]+ 356.16653 186.8
[M]- 356.16763 186.8
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

patents stripe