CID 3078956

Brn 4217679

Structural Information

Molecular Formula
C23H34N6O2S2
SMILES
CC1=CC(=NC(=N1)N2CCOCC2)SCCCCCSC3=NC(=NC(=C3)C)N4CCOCC4
InChI
InChI=1S/C23H34N6O2S2/c1-18-16-20(26-22(24-18)28-6-10-30-11-7-28)32-14-4-3-5-15-33-21-17-19(2)25-23(27-21)29-8-12-31-13-9-29/h16-17H,3-15H2,1-2H3
InChIKey
ZUPWHLAGRMZUAR-UHFFFAOYSA-N
Compound name
4-[4-methyl-6-[5-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)sulfanylpentylsulfanyl]pyrimidin-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.21848 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.22576 211.6
[M+Na]+ 513.20770 225.0
[M+NH4]+ 508.25230 216.8
[M+K]+ 529.18164 214.1
[M-H]- 489.21120 218.9
[M+Na-2H]- 511.19315 216.8
[M]+ 490.21793 216.5
[M]- 490.21903 216.5
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

No patent data available for this compound.