CID 3063493

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

Structural Information

Molecular Formula
C25H26N2O3S
SMILES
CCOCCN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H26N2O3S/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/h5-15H,4,16-17H2,1-3H3
InChIKey
JJOKTJKXQWIOAZ-UHFFFAOYSA-N
Compound name
2-[1-(2-ethoxyethyl)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

434.1664 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17368 205.6
[M+Na]+ 457.15562 215.6
[M-H]- 433.15912 217.6
[M+NH4]+ 452.20022 217.1
[M+K]+ 473.12956 209.6
[M+H-H2O]+ 417.16366 196.1
[M+HCOO]- 479.16460 225.2
[M+CH3COO]- 493.18025 216.3
[M+Na-2H]- 455.14107 201.7
[M]+ 434.16585 215.8
[M]- 434.16695 215.8
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