CID 3078957

Brn 4218056

Structural Information

Molecular Formula
C24H36N6O2S2
SMILES
CC1=CC(=NC(=N1)N2CCOCC2)SCCCCCCSC3=NC(=NC(=C3)C)N4CCOCC4
InChI
InChI=1S/C24H36N6O2S2/c1-19-17-21(27-23(25-19)29-7-11-31-12-8-29)33-15-5-3-4-6-16-34-22-18-20(2)26-24(28-22)30-9-13-32-14-10-30/h17-18H,3-16H2,1-2H3
InChIKey
LHWFLFJNYORNCF-UHFFFAOYSA-N
Compound name
4-[4-methyl-6-[6-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylhexylsulfanyl]pyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.23413 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.24141 215.5
[M+Na]+ 527.22335 228.7
[M+NH4]+ 522.26795 220.5
[M+K]+ 543.19729 217.5
[M-H]- 503.22685 222.7
[M+Na-2H]- 525.20880 220.5
[M]+ 504.23358 220.3
[M]- 504.23468 220.3
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.