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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 164.7
[M+Na]+ 298.09844 171.8
[M-H]- 274.10194 167.5
[M+NH4]+ 293.14304 179.8
[M+K]+ 314.07238 165.6
[M+H-H2O]+ 258.10648 157.2
[M+HCOO]- 320.10742 178.6
[M+CH3COO]- 334.12307 197.3
[M+Na-2H]- 296.08389 162.2
[M]+ 275.10867 162.5
[M]- 275.10977 162.5
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.