CID 667483

Etocarlide

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂S

SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C17H20N2O2S/c1-3-20-15-9-5-13(6-10-15)18-17(22)19-14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,22)

InChIKey

PRXHANOJNVGVGC-UHFFFAOYSA-N

Compound name

1,3-bis(4-ethoxyphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 13347
Patents: 316.12454 Da
Monoisotopic Mass: 3.8
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]+	317.13182	173.9
[M+Na]+	339.11376	185.5
[M+NH4]+	334.15836	181.7
[M+K]+	355.08770	176.0
[M-H]-	315.11726	179.1
[M+Na-2H]-	337.09921	181.8
[M]+	316.12399	177.4
[M]-	316.12509	177.4

Literature stripe

literature stripe

Patent stripe

patents stripe