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]+ 415.147476 199.8
[M+Na]+ 437.129418 205.1
[M-H]- 413.132924 211.1
[M+NH4]+ 432.174023 209.8
[M+K]+ 453.103358 198.6
[M+H-H2O]+ 397.137460 189.5
[M+HCOO]- 459.138401 217.3
[M+CH3COO]- 473.154051 208.7
[M+Na-2H]- 435.114866 199.0
[M]+ 414.13965142 201.9
[M]- 414.14074858 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