CID 3063502

4,5-bis(4-methoxyphenyl)-2-(pyrrol-2-yl)-thiazole

Structural Information

Molecular Formula
C21H18N2O2S
SMILES
COC1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=CN3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)26-21(23-19)18-4-3-13-22-18/h3-13,22H,1-2H3
InChIKey
DYASQUCCIHXBLN-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

362.1089 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11618 184.4
[M+Na]+ 385.09812 195.4
[M-H]- 361.10162 195.5
[M+NH4]+ 380.14272 198.1
[M+K]+ 401.07206 188.7
[M+H-H2O]+ 345.10616 176.0
[M+HCOO]- 407.10710 203.9
[M+CH3COO]- 421.12275 196.2
[M+Na-2H]- 383.08357 182.8
[M]+ 362.10835 190.0
[M]- 362.10945 190.0
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