CID 3074877

166772-80-1

Structural Information

Molecular Formula
C16H24N4S
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCN3CCNC3=S
InChI
InChI=1S/C16H24N4S/c1-14-4-2-3-5-15(14)19-11-8-18(9-12-19)10-13-20-7-6-17-16(20)21/h2-5H,6-13H2,1H3,(H,17,21)
InChIKey
WTMOSKJYWLHYEW-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17218 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17946 173.7
[M+Na]+ 327.16140 184.9
[M+NH4]+ 322.20600 181.0
[M+K]+ 343.13534 177.4
[M-H]- 303.16490 176.9
[M+Na-2H]- 325.14685 178.7
[M]+ 304.17163 176.5
[M]- 304.17273 176.5
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.