CID 3063492

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

Structural Information

Molecular Formula
C25H26N2O3S
SMILES
CCCOCN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H26N2O3S/c1-4-16-30-17-27-15-5-6-22(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
CJXXFAGBCCZFLU-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-[1-(propoxymethyl)pyrrol-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

434.1664 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.17368 206.0
[M+Na]+ 457.15562 221.9
[M+NH4]+ 452.20022 213.6
[M+K]+ 473.12956 214.2
[M-H]- 433.15912 213.2
[M+Na-2H]- 455.14107 215.9
[M]+ 434.16585 211.1
[M]- 434.16695 211.1
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