CID 1711689

Piperazine, 1-(((4,5-dihydro-1h-imidazol-2-yl)thio)acetyl)-4-methyl-, dihydrochloride

Structural Information

Molecular Formula
C10H18N4OS
SMILES
CN1CCN(CC1)C(=O)CSC2=NCCN2
InChI
InChI=1S/C10H18N4OS/c1-13-4-6-14(7-5-13)9(15)8-16-10-11-2-3-12-10/h2-8H2,1H3,(H,11,12)
InChIKey
HLAPXRNAIIQHFY-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12013 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12741 156.7
[M+Na]+ 265.10935 162.3
[M-H]- 241.11285 156.0
[M+NH4]+ 260.15395 170.4
[M+K]+ 281.08329 158.9
[M+H-H2O]+ 225.11739 148.1
[M+HCOO]- 287.11833 165.3
[M+CH3COO]- 301.13398 185.6
[M+Na-2H]- 263.09480 154.5
[M]+ 242.11958 152.6
[M]- 242.12068 152.6
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.