CID 3088779

119321-60-7

Structural Information

Molecular Formula
C24H28N4O2S
SMILES
CSC1=NC=CC(=O)N1C2=CC=C(C=C2)OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H28N4O2S/c1-31-24-25-13-12-23(29)28(24)21-8-10-22(11-9-21)30-19-5-14-26-15-17-27(18-16-26)20-6-3-2-4-7-20/h2-4,6-13H,5,14-19H2,1H3
InChIKey
CNRJNQTUMNGQST-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-3-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1933 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.20058 206.2
[M+Na]+ 459.18252 211.9
[M-H]- 435.18602 212.1
[M+NH4]+ 454.22712 209.8
[M+K]+ 475.15646 203.5
[M+H-H2O]+ 419.19056 192.6
[M+HCOO]- 481.19150 215.6
[M+CH3COO]- 495.20715 212.4
[M+Na-2H]- 457.16797 205.5
[M]+ 436.19275 206.2
[M]- 436.19385 206.2
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.