CID 3063475

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

Structural Information

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

462.16132 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16860 212.7
[M+Na]+ 485.15054 221.2
[M-H]- 461.15404 224.9
[M+NH4]+ 480.19514 222.6
[M+K]+ 501.12448 216.5
[M+H-H2O]+ 445.15858 203.4
[M+HCOO]- 507.15952 230.2
[M+CH3COO]- 521.17517 231.7
[M+Na-2H]- 483.13599 206.8
[M]+ 462.16077 222.7
[M]- 462.16187 222.7
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