CID 3063495

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

Structural Information

Molecular Formula
C25H26N2O2S2
SMILES
CCSCCN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H26N2O2S2/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
OVVWRQXUTDKXCU-UHFFFAOYSA-N
Compound name
2-[1-(2-ethylsulfanylethyl)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

450.1436 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.15088 206.0
[M+Na]+ 473.13282 221.7
[M+NH4]+ 468.17742 214.4
[M+K]+ 489.10676 211.6
[M-H]- 449.13632 213.8
[M+Na-2H]- 471.11827 215.5
[M]+ 450.14305 211.8
[M]- 450.14415 211.8
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