CID 3063473

101001-33-6

Structural Information

Molecular Formula
C24H22N2O4S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3CC(=O)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H22N2O4S/c1-28-18-10-6-16(7-11-18)22-23(17-8-12-19(29-2)13-9-17)31-24(25-22)20-5-4-14-26(20)15-21(27)30-3/h4-14H,15H2,1-3H3
InChIKey
UPGJYJSMOOPNSM-UHFFFAOYSA-N
Compound name
methyl 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

4
Patents

434.13004 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13732 203.8
[M+Na]+ 457.11926 219.0
[M+NH4]+ 452.16386 210.6
[M+K]+ 473.09320 212.9
[M-H]- 433.12276 210.2
[M+Na-2H]- 455.10471 213.3
[M]+ 434.12949 208.4
[M]- 434.13059 208.4
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