CID 2747162

206559-37-7

Structural Information

Molecular Formula

C₁₄H₁₅N₃OS

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NN

InChI

InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)

InChIKey

SSEUFZMKDSZKBU-UHFFFAOYSA-N

Compound name

1-amino-3-(4-phenylmethoxyphenyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 273.0936 Da
Monoisotopic Mass: 2.2
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]+	274.10088	159.4
[M+Na]+	296.08282	164.7
[M-H]-	272.08632	165.3
[M+NH4]+	291.12742	174.6
[M+K]+	312.05676	159.5
[M+H-H2O]+	256.09086	151.1
[M+HCOO]-	318.09180	180.3
[M+CH3COO]-	332.10745	202.0
[M+Na-2H]-	294.06827	163.4
[M]+	273.09305	157.8
[M]-	273.09415	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe