CID 3063491

4,5-bis(4-methoxyphenyl)-2-(1-ethoxymethylpyrrol-2-yl)thiazole

Structural Information

Molecular Formula
C24H24N2O3S
SMILES
CCOCN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H24N2O3S/c1-4-29-16-26-15-5-6-21(26)24-25-22(17-7-11-19(27-2)12-8-17)23(30-24)18-9-13-20(28-3)14-10-18/h5-15H,4,16H2,1-3H3
InChIKey
BLRRNJPSDAJCBJ-UHFFFAOYSA-N
Compound name
2-[1-(ethoxymethyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

420.15076 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.15804 201.3
[M+Na]+ 443.13998 211.8
[M-H]- 419.14348 213.6
[M+NH4]+ 438.18458 213.5
[M+K]+ 459.11392 206.0
[M+H-H2O]+ 403.14802 192.0
[M+HCOO]- 465.14896 221.4
[M+CH3COO]- 479.16461 212.5
[M+Na-2H]- 441.12543 197.9
[M]+ 420.15021 211.3
[M]- 420.15131 211.3
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