CID 988211

303092-96-8

Structural Information

Molecular Formula
C25H22N2O2S
SMILES
COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H22N2O2S/c1-29-21-14-12-18(13-15-21)16-22-17-26-25(30-22)27-24(28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,17,23H,16H2,1H3,(H,26,27,28)
InChIKey
CUMSHRKWYBMIKM-UHFFFAOYSA-N
Compound name
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

414.1402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.14748 198.3
[M+Na]+ 437.12942 213.0
[M+NH4]+ 432.17402 206.5
[M+K]+ 453.10336 203.7
[M-H]- 413.13292 206.9
[M+Na-2H]- 435.11487 210.2
[M]+ 414.13965 203.4
[M]- 414.14075 203.4
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