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 174.7
[M+Na]+ 349.09812 183.2
[M-H]- 325.10162 183.9
[M+NH4]+ 344.14272 189.6
[M+K]+ 365.07206 177.9
[M+H-H2O]+ 309.10616 166.0
[M+HCOO]- 371.10710 195.2
[M+CH3COO]- 385.12275 186.4
[M+Na-2H]- 347.08357 176.2
[M]+ 326.10835 179.6
[M]- 326.10945 179.6
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

patents stripe