CID 3053457

4(1h)-pyrimidinone, tetrahydro-6,6-dimethyl-3-(3-(4-phenyl-1-piperazinyl)propyl)-2-thioxo-

Structural Information

Molecular Formula
C19H28N4OS
SMILES
CC1(CC(=O)N(C(=S)N1)CCCN2CCN(CC2)C3=CC=CC=C3)C
InChI
InChI=1S/C19H28N4OS/c1-19(2)15-17(24)23(18(25)20-19)10-6-9-21-11-13-22(14-12-21)16-7-4-3-5-8-16/h3-5,7-8H,6,9-15H2,1-2H3,(H,20,25)
InChIKey
BGYUDSVWUXKCLT-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.1984 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20568 188.6
[M+Na]+ 383.18762 200.1
[M+NH4]+ 378.23222 196.1
[M+K]+ 399.16156 188.9
[M-H]- 359.19112 191.6
[M+Na-2H]- 381.17307 194.8
[M]+ 360.19785 191.5
[M]- 360.19895 191.5
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

patents stripe