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 215.8
[M+Na]+ 527.22335 219.8
[M-H]- 503.22685 218.9
[M+NH4]+ 522.26795 212.4
[M+K]+ 543.19729 212.7
[M+H-H2O]+ 487.23139 203.2
[M+HCOO]- 549.23233 213.1
[M+CH3COO]- 563.24798 219.0
[M+Na-2H]- 525.20880 211.5
[M]+ 504.23358 215.1
[M]- 504.23468 215.1
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.