CID 3086769

111915-70-9

Structural Information

Molecular Formula

C₁₀H₁₈N₄S₂

SMILES

CC1CN=C(S1)NCCNC2=NCC(S2)C

InChI

InChI=1S/C10H18N4S2/c1-7-5-13-9(15-7)11-3-4-12-10-14-6-8(2)16-10/h7-8H,3-6H2,1-2H3,(H,11,13)(H,12,14)

InChIKey

MWQHXTYRZLMUEM-UHFFFAOYSA-N

Compound name

N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0973 Da
Monoisotopic Mass: 1.0
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]+	259.104576	154.6
[M+Na]+	281.086518	162.6
[M-H]-	257.090024	159.0
[M+NH4]+	276.131123	173.4
[M+K]+	297.060458	158.5
[M+H-H2O]+	241.094560	147.8
[M+HCOO]-	303.095501	168.1
[M+CH3COO]-	317.111151	166.1
[M+Na-2H]-	279.071966	152.7
[M]+	258.09675142	155.2
[M]-	258.09784858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.