CID 5103184

1,2-bis(5-(2-methoxyethoxy)pyrimidin-2-yl)disulfane

Structural Information

Molecular Formula
C14H18N4O4S2
SMILES
COCCOC1=CN=C(N=C1)SSC2=NC=C(C=N2)OCCOC
InChI
InChI=1S/C14H18N4O4S2/c1-19-3-5-21-11-7-15-13(16-8-11)23-24-14-17-9-12(10-18-14)22-6-4-20-2/h7-10H,3-6H2,1-2H3
InChIKey
VTUPBUKBISPMKP-UHFFFAOYSA-N
Compound name
5-(2-methoxyethoxy)-2-[[5-(2-methoxyethoxy)pyrimidin-2-yl]disulfanyl]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

370.07693 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08421 180.6
[M+Na]+ 393.06615 193.1
[M+NH4]+ 388.11075 186.1
[M+K]+ 409.04009 183.1
[M-H]- 369.06965 181.9
[M+Na-2H]- 391.05160 186.3
[M]+ 370.07638 183.6
[M]- 370.07748 183.6
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

patents stripe