CID 3063485

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

Structural Information

Molecular Formula
C28H30N2O4S
SMILES
CC(C)C(C)OC(=O)CN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H30N2O4S/c1-18(2)19(3)34-25(31)17-30-16-6-7-24(30)28-29-26(20-8-12-22(32-4)13-9-20)27(35-28)21-10-14-23(33-5)15-11-21/h6-16,18-19H,17H2,1-5H3
InChIKey
BFFVGEIFIUXDSV-UHFFFAOYSA-N
Compound name
3-methylbutan-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

490.19263 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.19991 218.6
[M+Na]+ 513.18185 232.2
[M+NH4]+ 508.22645 224.4
[M+K]+ 529.15579 227.0
[M-H]- 489.18535 224.5
[M+Na-2H]- 511.16730 226.7
[M]+ 490.19208 222.8
[M]- 490.19318 222.8
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