CID 148142

97z5cc5znz

Structural Information

Molecular Formula
C16H18N4S2
SMILES
CN(C)CCNC1=NC(=CC(=N1)C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C16H18N4S2/c1-20(2)8-7-17-16-18-12(14-5-3-9-21-14)11-13(19-16)15-6-4-10-22-15/h3-6,9-11H,7-8H2,1-2H3,(H,17,18,19)
InChIKey
BGOGHNWIVJZOSC-UHFFFAOYSA-N
Compound name
N-(4,6-dithiophen-2-ylpyrimidin-2-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0973 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10458 172.7
[M+Na]+ 353.08652 182.9
[M-H]- 329.09002 182.7
[M+NH4]+ 348.13112 189.1
[M+K]+ 369.06046 177.3
[M+H-H2O]+ 313.09456 164.8
[M+HCOO]- 375.09550 190.7
[M+CH3COO]- 389.11115 184.9
[M+Na-2H]- 351.07197 172.5
[M]+ 330.09675 178.6
[M]- 330.09785 178.6
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.