CID 16112820

Neurodazine

Structural Information

Molecular Formula
C27H21ClN2O3
SMILES
COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(O3)C4=CC(=CC=C4)Cl)C5=CC=C(C=C5)OC
InChI
InChI=1S/C27H21ClN2O3/c1-31-21-10-6-17(7-11-21)25-26(18-8-12-22(32-2)13-9-18)30-27(29-25)24-15-14-23(33-24)19-4-3-5-20(28)16-19/h3-16H,1-2H3,(H,29,30)
InChIKey
FEEOFPAEDSMOTO-UHFFFAOYSA-N
Compound name
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-bis(4-methoxyphenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

37
Patents

456.12408 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.13136 210.1
[M+Na]+ 479.11330 220.7
[M-H]- 455.11680 224.2
[M+NH4]+ 474.15790 218.0
[M+K]+ 495.08724 213.5
[M+H-H2O]+ 439.12134 199.2
[M+HCOO]- 501.12228 227.1
[M+CH3COO]- 515.13793 220.2
[M+Na-2H]- 477.09875 207.8
[M]+ 456.12353 217.3
[M]- 456.12463 217.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe