CID 3070640

4,5-bis(4-methoxyphenyl)-2-(1-methylpyrrol-2-yl)imidazole

Structural Information

Molecular Formula
C22H21N3O2
SMILES
CN1C=CC=C1C2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H21N3O2/c1-25-14-4-5-19(25)22-23-20(15-6-10-17(26-2)11-7-15)21(24-22)16-8-12-18(27-3)13-9-16/h4-14H,1-3H3,(H,23,24)
InChIKey
IBWLVTXJAVVVQG-UHFFFAOYSA-N
Compound name
4,5-bis(4-methoxyphenyl)-2-(1-methylpyrrol-2-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

359.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.17068 185.0
[M+Na]+ 382.15262 195.1
[M-H]- 358.15612 194.5
[M+NH4]+ 377.19722 196.5
[M+K]+ 398.12656 188.4
[M+H-H2O]+ 342.16066 174.5
[M+HCOO]- 404.16160 207.0
[M+CH3COO]- 418.17725 196.1
[M+Na-2H]- 380.13807 184.5
[M]+ 359.16285 189.1
[M]- 359.16395 189.1
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