CID 452524

124959-56-4

Structural Information

Molecular Formula
C14H13N3OS2
SMILES
C1=CSC(=C1)C2=CC(=NC(=N2)NCCO)C3=CC=CS3
InChI
InChI=1S/C14H13N3OS2/c18-6-5-15-14-16-10(12-3-1-7-19-12)9-11(17-14)13-4-2-8-20-13/h1-4,7-9,18H,5-6H2,(H,15,16,17)
InChIKey
OGTKCQGXQZYQFO-UHFFFAOYSA-N
Compound name
2-[(4,6-dithiophen-2-ylpyrimidin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.05002 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05730 163.2
[M+Na]+ 326.03924 174.5
[M-H]- 302.04274 170.8
[M+NH4]+ 321.08384 179.7
[M+K]+ 342.01318 167.9
[M+H-H2O]+ 286.04728 156.6
[M+HCOO]- 348.04822 179.4
[M+CH3COO]- 362.06387 175.5
[M+Na-2H]- 324.02469 163.4
[M]+ 303.04947 167.5
[M]- 303.05057 167.5
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.