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: 1
Patents: 370.07693 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.084206	177.2
[M+Na]+	393.066148	185.5
[M-H]-	369.069654	178.2
[M+NH4]+	388.110753	184.9
[M+K]+	409.040088	180.1
[M+H-H2O]+	353.074190	167.5
[M+HCOO]-	415.075131	187.0
[M+CH3COO]-	429.090781	211.1
[M+Na-2H]-	391.051596	179.5
[M]+	370.07638142	186.8
[M]-	370.07747858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe