CID 745588

51009-65-5

Structural Information

Molecular Formula

C₁₄H₁₇N₃OS

SMILES

CCN(CC)C1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(19)15-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18,19)/b12-9+

InChIKey

RHTNYOJDJNSDCD-FMIVXFBMSA-N

Compound name

(5E)-5-[[4-(diethylamino)phenyl]methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 275.10922 Da
Monoisotopic Mass: 2.5
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]+	276.116496	164.7
[M+Na]+	298.098438	171.8
[M-H]-	274.101944	167.5
[M+NH4]+	293.143043	179.8
[M+K]+	314.072378	165.6
[M+H-H2O]+	258.106480	157.2
[M+HCOO]-	320.107421	178.6
[M+CH3COO]-	334.123071	197.3
[M+Na-2H]-	296.083886	162.2
[M]+	275.10867142	162.5
[M]-	275.10976858	162.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.