CID 3063488

1h-pyrrole-1-acetic acid, 2-(4,5-bis(4-methoxyphenyl)-2-thiazolyl)-, 2-propenyl ester

Structural Information

Molecular Formula
C26H24N2O4S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)OCC=C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H24N2O4S/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/h4-15H,1,16-17H2,2-3H3
InChIKey
DIALBVBHLZMMFM-UHFFFAOYSA-N
Compound name
prop-2-enyl 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

460.1457 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.15298 211.9
[M+Na]+ 483.13492 226.7
[M+NH4]+ 478.17952 218.0
[M+K]+ 499.10886 220.0
[M-H]- 459.13842 218.0
[M+Na-2H]- 481.12037 220.8
[M]+ 460.14515 216.3
[M]- 460.14625 216.3
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