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 174.2
[M+Na]+ 327.16140 179.7
[M-H]- 303.16490 176.3
[M+NH4]+ 322.20600 185.3
[M+K]+ 343.13534 173.1
[M+H-H2O]+ 287.16944 164.3
[M+HCOO]- 349.17038 181.7
[M+CH3COO]- 363.18603 182.1
[M+Na-2H]- 325.14685 170.0
[M]+ 304.17163 168.3
[M]- 304.17273 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.