CID 3072357

142287-36-3

Structural Information

Molecular Formula
C23H25N7OS2
SMILES
CC1=NC=C2C(=N1)N(C(=S)N(C2=O)CCCN3CCN(CC3)C4=NC=CS4)C5=CC=CC=C5
InChI
InChI=1S/C23H25N7OS2/c1-17-25-16-19-20(26-17)30(18-6-3-2-4-7-18)23(32)29(21(19)31)10-5-9-27-11-13-28(14-12-27)22-24-8-15-33-22/h2-4,6-8,15-16H,5,9-14H2,1H3
InChIKey
CWFUDZIFTIHTPE-UHFFFAOYSA-N
Compound name
7-methyl-1-phenyl-2-sulfanylidene-3-[3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]pyrimido[4,5-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.1562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16348 207.1
[M+Na]+ 502.14542 224.3
[M+NH4]+ 497.19002 212.9
[M+K]+ 518.11936 213.5
[M-H]- 478.14892 212.5
[M+Na-2H]- 500.13087 215.5
[M]+ 479.15565 212.0
[M]- 479.15675 212.0
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.