CID 212125

23937-99-7

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂S

SMILES

COC1=C(C=C(C=C1)CNC2=NC(=CS2)C3=CC=CC=C3)OC

InChI

InChI=1S/C18H18N2O2S/c1-21-16-9-8-13(10-17(16)22-2)11-19-18-20-15(12-23-18)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,20)

InChIKey

RBDRAOIFMHMOIX-UHFFFAOYSA-N

Compound name

N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.1089 Da
Monoisotopic Mass: 4.4
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]+	327.116176	174.7
[M+Na]+	349.098118	183.2
[M-H]-	325.101624	183.9
[M+NH4]+	344.142723	189.6
[M+K]+	365.072058	177.9
[M+H-H2O]+	309.106160	166.0
[M+HCOO]-	371.107101	195.2
[M+CH3COO]-	385.122751	186.4
[M+Na-2H]-	347.083566	176.2
[M]+	326.10835142	179.6
[M]-	326.10944858	179.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe