CID 1476570

23821-92-3

Structural Information

Molecular Formula
C18H15NO2S
SMILES
COC(=O)CC1=C(N=C(S1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2S/c1-21-16(20)12-15-17(13-8-4-2-5-9-13)19-18(22-15)14-10-6-3-7-11-14/h2-11H,12H2,1H3
InChIKey
CLEANVYWRNZNHG-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-diphenyl-1,3-thiazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.08234 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08962 171.8
[M+Na]+ 332.07156 180.4
[M-H]- 308.07506 181.0
[M+NH4]+ 327.11616 187.5
[M+K]+ 348.04550 175.3
[M+H-H2O]+ 292.07960 163.5
[M+HCOO]- 354.08054 190.6
[M+CH3COO]- 368.09619 183.7
[M+Na-2H]- 330.05701 172.0
[M]+ 309.08179 175.6
[M]- 309.08289 175.6
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