CID 3035276

1756-44-1

Structural Information

Molecular Formula

C₁₇H₂₀N₂O₂S

SMILES

CCOC1=CC=CC=C1NC(=S)NC2=CC=CC=C2OCC

InChI

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

InChIKey

JNYGERXLRVWVMQ-UHFFFAOYSA-N

Compound name

1,3-bis(2-ethoxyphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 316.12454 Da
Monoisotopic Mass: 4.3
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]+	317.131816	173.3
[M+Na]+	339.113758	178.8
[M-H]-	315.117264	179.6
[M+NH4]+	334.158363	187.6
[M+K]+	355.087698	174.0
[M+H-H2O]+	299.121800	164.7
[M+HCOO]-	361.122741	193.0
[M+CH3COO]-	375.138391	209.6
[M+Na-2H]-	337.099206	175.5
[M]+	316.12399142	176.2
[M]-	316.12508858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe