CID 3063474

Propyl 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-1h-pyrrole-1-acetate

Structural Information

Molecular Formula
C26H26N2O4S
SMILES
CCCOC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H26N2O4S/c1-4-16-32-23(29)17-28-15-5-6-22(28)26-27-24(18-7-11-20(30-2)12-8-18)25(33-26)19-9-13-21(31-3)14-10-19/h5-15H,4,16-17H2,1-3H3
InChIKey
PFPHPAUNGFGAPW-UHFFFAOYSA-N
Compound name
propyl 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

462.16132 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16860 212.4
[M+Na]+ 485.15054 227.2
[M+NH4]+ 480.19514 218.8
[M+K]+ 501.12448 220.6
[M-H]- 461.15404 218.7
[M+Na-2H]- 483.13599 221.4
[M]+ 462.16077 216.9
[M]- 462.16187 216.9
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