CID 5103184

28246-06-2

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 177.2
[M+Na]+ 393.06615 185.5
[M-H]- 369.06965 178.2
[M+NH4]+ 388.11075 184.9
[M+K]+ 409.04009 180.1
[M+H-H2O]+ 353.07419 167.5
[M+HCOO]- 415.07513 187.0
[M+CH3COO]- 429.09078 211.1
[M+Na-2H]- 391.05160 179.5
[M]+ 370.07638 186.8
[M]- 370.07748 186.8
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