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 199.8
[M+Na]+ 437.12942 205.1
[M-H]- 413.13292 211.1
[M+NH4]+ 432.17402 209.8
[M+K]+ 453.10336 198.6
[M+H-H2O]+ 397.13746 189.5
[M+HCOO]- 459.13840 217.3
[M+CH3COO]- 473.15405 208.7
[M+Na-2H]- 435.11487 199.0
[M]+ 414.13965 201.9
[M]- 414.14075 201.9
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