CID 601948

64830-89-3

Structural Information

Molecular Formula

C₁₆H₁₈N₂O₂S

SMILES

COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C16H18N2O2S/c1-19-14-8-4-12(5-9-14)17-16(21-3)18-13-6-10-15(20-2)11-7-13/h4-11H,1-3H3,(H,17,18)

InChIKey

JOMSSNQFOQDFPA-UHFFFAOYSA-N

Compound name

methyl N,N'-bis(4-methoxyphenyl)carbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.1089 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]+	303.116176	169.6
[M+Na]+	325.098118	176.1
[M-H]-	301.101624	177.6
[M+NH4]+	320.142723	185.3
[M+K]+	341.072058	172.4
[M+H-H2O]+	285.106160	160.9
[M+HCOO]-	347.107101	191.2
[M+CH3COO]-	361.122751	208.4
[M+Na-2H]-	323.083566	172.6
[M]+	302.10835142	173.9
[M]-	302.10944858	173.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.