CID 452525

124959-58-6

Structural Information

Molecular Formula
C19H25N5S2
SMILES
CN(CCCN)CCCNC1=NC(=CC(=N1)C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C19H25N5S2/c1-24(10-4-8-20)11-5-9-21-19-22-15(17-6-2-12-25-17)14-16(23-19)18-7-3-13-26-18/h2-3,6-7,12-14H,4-5,8-11,20H2,1H3,(H,21,22,23)
InChIKey
WVNGZWDGAWCHDB-UHFFFAOYSA-N
Compound name
N'-[3-[(4,6-dithiophen-2-ylpyrimidin-2-yl)amino]propyl]-N'-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.15515 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16243 185.7
[M+Na]+ 410.14437 193.4
[M-H]- 386.14787 194.3
[M+NH4]+ 405.18897 199.1
[M+K]+ 426.11831 186.7
[M+H-H2O]+ 370.15241 176.8
[M+HCOO]- 432.15335 203.0
[M+CH3COO]- 446.16900 195.8
[M+Na-2H]- 408.12982 184.7
[M]+ 387.15460 190.8
[M]- 387.15570 190.8
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.