CID 53860

Brn 5078847

Structural Information

Molecular Formula

C₁₁H₁₉N₅OS

SMILES

CCN(CC)C1=NC(=NC(=C1)C)SCC(=O)NN

InChI

InChI=1S/C11H19N5OS/c1-4-16(5-2)9-6-8(3)13-11(14-9)18-7-10(17)15-12/h6H,4-5,7,12H2,1-3H3,(H,15,17)

InChIKey

ZHZZBTFMZIKEGT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.13104 Da
Monoisotopic Mass: 1.2
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]+	270.138316	161.8
[M+Na]+	292.120258	167.8
[M-H]-	268.123764	163.6
[M+NH4]+	287.164863	175.8
[M+K]+	308.094198	165.0
[M+H-H2O]+	252.128300	152.9
[M+HCOO]-	314.129241	179.8
[M+CH3COO]-	328.144891	207.8
[M+Na-2H]-	290.105706	163.1
[M]+	269.13049142	164.2
[M]-	269.13158858	164.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.