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]+ 305.179456 174.2
[M+Na]+ 327.161398 179.7
[M-H]- 303.164904 176.3
[M+NH4]+ 322.206003 185.3
[M+K]+ 343.135338 173.1
[M+H-H2O]+ 287.169440 164.3
[M+HCOO]- 349.170381 181.7
[M+CH3COO]- 363.186031 182.1
[M+Na-2H]- 325.146846 170.0
[M]+ 304.17163142 168.3
[M]- 304.17272858 168.3
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.