CID 10851916

1,2-ethanediamine, n-(4,6-di-2-thienyl-2-pyrimidinyl)-

Structural Information

Molecular Formula
C14H14N4S2
SMILES
C1=CSC(=C1)C2=CC(=NC(=N2)NCCN)C3=CC=CS3
InChI
InChI=1S/C14H14N4S2/c15-5-6-16-14-17-10(12-3-1-7-19-12)9-11(18-14)13-4-2-8-20-13/h1-4,7-9H,5-6,15H2,(H,16,17,18)
InChIKey
XDFIOBQRCFUQOW-UHFFFAOYSA-N
Compound name
N'-(4,6-dithiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06598 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07326 162.2
[M+Na]+ 325.05520 173.4
[M-H]- 301.05870 170.6
[M+NH4]+ 320.09980 179.0
[M+K]+ 341.02914 166.4
[M+H-H2O]+ 285.06324 155.0
[M+HCOO]- 347.06418 180.0
[M+CH3COO]- 361.07983 174.6
[M+Na-2H]- 323.04065 162.8
[M]+ 302.06543 165.4
[M]- 302.06653 165.4
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.