CID 56779

2,4-bis(beta-diethylaminoethyl)thio-6h-pyrimidine dihydrochloride

Structural Information

Molecular Formula
C16H30N4S2
SMILES
CCN(CC)CCSC1=NC(=NC=C1)SCCN(CC)CC
InChI
InChI=1S/C16H30N4S2/c1-5-19(6-2)11-13-21-15-9-10-17-16(18-15)22-14-12-20(7-3)8-4/h9-10H,5-8,11-14H2,1-4H3
InChIKey
SQERZRLSGVLTPT-UHFFFAOYSA-N
Compound name
2-[2-[2-(diethylamino)ethylsulfanyl]pyrimidin-4-yl]sulfanyl-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1912 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19848 178.7
[M+Na]+ 365.18042 182.9
[M-H]- 341.18392 180.8
[M+NH4]+ 360.22502 191.2
[M+K]+ 381.15436 178.6
[M+H-H2O]+ 325.18846 169.0
[M+HCOO]- 387.18940 190.1
[M+CH3COO]- 401.20505 223.0
[M+Na-2H]- 363.16587 177.5
[M]+ 342.19065 186.1
[M]- 342.19175 186.1
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.