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]+ 421.158036 201.3
[M+Na]+ 443.139978 211.8
[M-H]- 419.143484 213.6
[M+NH4]+ 438.184583 213.5
[M+K]+ 459.113918 206.0
[M+H-H2O]+ 403.148020 192.0
[M+HCOO]- 465.148961 221.4
[M+CH3COO]- 479.164611 212.5
[M+Na-2H]- 441.125426 197.9
[M]+ 420.15021142 211.3
[M]- 420.15130858 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