CID 3063494

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-((ethenyloxy)ethyl)-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C25H24N2O3S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CCOC=C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H24N2O3S/c1-4-30-17-16-27-15-5-6-22(27)25-26-23(18-7-11-20(28-2)12-8-18)24(31-25)19-9-13-21(29-3)14-10-19/h4-15H,1,16-17H2,2-3H3
InChIKey
LJAKYRLOPHYPAF-UHFFFAOYSA-N
Compound name
2-[1-(2-ethenoxyethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

432.15076 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15804 205.4
[M+Na]+ 455.13998 215.7
[M-H]- 431.14348 217.5
[M+NH4]+ 450.18458 216.9
[M+K]+ 471.11392 209.1
[M+H-H2O]+ 415.14802 195.9
[M+HCOO]- 477.14896 225.2
[M+CH3COO]- 491.16461 216.1
[M+Na-2H]- 453.12543 201.5
[M]+ 432.15021 214.9
[M]- 432.15131 214.9
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