CID 53836

Brn 5108725

Structural Information

Molecular Formula

C₁₅H₂₇N₅OS

SMILES

CCCCN(CCCC)C1=NC(=NC(=C1)C)SCC(=O)NN

InChI

InChI=1S/C15H27N5OS/c1-4-6-8-20(9-7-5-2)13-10-12(3)17-15(18-13)22-11-14(21)19-16/h10H,4-9,11,16H2,1-3H3,(H,19,21)

InChIKey

KLGFJNJXNQWFKF-UHFFFAOYSA-N

Compound name

2-[4-(dibutylamino)-6-methylpyrimidin-2-yl]sulfanylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.19363 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	326.200906	178.6
[M+Na]+	348.182848	182.9
[M-H]-	324.186354	179.7
[M+NH4]+	343.227453	190.4
[M+K]+	364.156788	179.2
[M+H-H2O]+	308.190890	169.0
[M+HCOO]-	370.191831	195.4
[M+CH3COO]-	384.207481	219.7
[M+Na-2H]-	346.168296	178.1
[M]+	325.19308142	182.4
[M]-	325.19417858	182.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.