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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11618 175.5
[M+Na]+ 349.09812 189.8
[M+NH4]+ 344.14272 184.3
[M+K]+ 365.07206 181.1
[M-H]- 325.10162 182.2
[M+Na-2H]- 347.08357 185.4
[M]+ 326.10835 180.1
[M]- 326.10945 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.