CID 3063478

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

Structural Information

Molecular Formula
C27H28N2O4S
SMILES
CCC(C)OC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H28N2O4S/c1-5-18(2)33-24(30)17-29-16-6-7-23(29)27-28-25(19-8-12-21(31-3)13-9-19)26(34-27)20-10-14-22(32-4)15-11-20/h6-16,18H,5,17H2,1-4H3
InChIKey
JMIAPOHAZPPTSL-UHFFFAOYSA-N
Compound name
butan-2-yl 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

476.17697 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18425 215.6
[M+Na]+ 499.16619 229.8
[M+NH4]+ 494.21079 221.7
[M+K]+ 515.14013 223.9
[M-H]- 475.16969 221.7
[M+Na-2H]- 497.15164 224.1
[M]+ 476.17642 219.9
[M]- 476.17752 219.9
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