CID 3063496

Thiazole, 4,5-bis(4-methoxyphenyl)-2-(1-(3-ethoxypropyl)-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C26H28N2O3S
SMILES
CCOCCCN1C=CC=C1C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H28N2O3S/c1-4-31-18-6-17-28-16-5-7-23(28)26-27-24(19-8-12-21(29-2)13-9-19)25(32-26)20-10-14-22(30-3)15-11-20/h5,7-16H,4,6,17-18H2,1-3H3
InChIKey
XWOWQTILFSIIAL-UHFFFAOYSA-N
Compound name
2-[1-(3-ethoxypropyl)pyrrol-2-yl]-4,5-bis(4-methoxyphenyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

448.18207 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.18935 209.8
[M+Na]+ 471.17129 219.3
[M-H]- 447.17479 221.7
[M+NH4]+ 466.21589 220.7
[M+K]+ 487.14523 213.1
[M+H-H2O]+ 431.17933 200.1
[M+HCOO]- 493.18027 229.1
[M+CH3COO]- 507.19592 220.0
[M+Na-2H]- 469.15674 205.5
[M]+ 448.18152 220.3
[M]- 448.18262 220.3
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