CID 7361241

Nsc625217

Structural Information

Molecular Formula

C₁₁H₁₅N₃OS

SMILES

CCOC1=CC=C(C=C1)/C(=N/NC(=S)N)/C

InChI

InChI=1S/C11H15N3OS/c1-3-15-10-6-4-9(5-7-10)8(2)13-14-11(12)16/h4-7H,3H2,1-2H3,(H3,12,14,16)/b13-8+

InChIKey

TVBHBVRPBXKWCJ-MDWZMJQESA-N

Compound name

[(E)-1-(4-ethoxyphenyl)ethylideneamino]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.09358 Da
Monoisotopic Mass: 1.8
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]+	238.10086	153.5
[M+Na]+	260.08280	158.8
[M-H]-	236.08630	157.7
[M+NH4]+	255.12740	171.1
[M+K]+	276.05674	155.8
[M+H-H2O]+	220.09084	145.9
[M+HCOO]-	282.09178	174.1
[M+CH3COO]-	296.10743	199.7
[M+Na-2H]-	258.06825	155.0
[M]+	237.09303	153.6
[M]-	237.09413	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe