CID 452514

83726-82-3

Structural Information

Molecular Formula
C11H14N4S2
SMILES
CN(C)CCSC1=NC=CC(=N1)C2=NC=CS2
InChI
InChI=1S/C11H14N4S2/c1-15(2)6-8-17-11-13-4-3-9(14-11)10-12-5-7-16-10/h3-5,7H,6,8H2,1-2H3
InChIKey
DZIPTOCYVFZQOC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.06598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07326 154.7
[M+Na]+ 289.05520 164.3
[M-H]- 265.05870 159.2
[M+NH4]+ 284.09980 170.6
[M+K]+ 305.02914 159.9
[M+H-H2O]+ 249.06324 146.5
[M+HCOO]- 311.06418 168.1
[M+CH3COO]- 325.07983 166.6
[M+Na-2H]- 287.04065 155.5
[M]+ 266.06543 159.2
[M]- 266.06653 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.