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 207.4
[M+Na]+ 473.13282 218.6
[M-H]- 449.13632 219.2
[M+NH4]+ 468.17742 219.2
[M+K]+ 489.10676 210.9
[M+H-H2O]+ 433.14086 199.3
[M+HCOO]- 495.14180 222.1
[M+CH3COO]- 509.15745 217.7
[M+Na-2H]- 471.11827 202.2
[M]+ 450.14305 217.4
[M]- 450.14415 217.4
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