CID 2306768

2-(4-methoxybenzoyl)-n-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂S

SMILES

COC1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C15H15N3O2S/c1-20-13-9-7-11(8-10-13)14(19)17-18-15(21)16-12-5-3-2-4-6-12/h2-10H,1H3,(H,17,19)(H2,16,18,21)

InChIKey

ZXTQBJSOXBDTSR-UHFFFAOYSA-N

Compound name

1-[(4-methoxybenzoyl)amino]-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 301.0885 Da
Monoisotopic Mass: 2.7
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]+	302.095776	167.7
[M+Na]+	324.077718	172.4
[M-H]-	300.081224	174.1
[M+NH4]+	319.122323	181.9
[M+K]+	340.051658	167.9
[M+H-H2O]+	284.085760	159.2
[M+HCOO]-	346.086701	188.2
[M+CH3COO]-	360.102351	206.5
[M+Na-2H]-	322.063166	171.2
[M]+	301.08795142	167.4
[M]-	301.08904858	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe