CID 5274473

6-(4,5-dihydro-1h-imidazol-2-yl)-2-[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]chromen-4-one

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC(=O)C4=C(O3)C=CC(=C4)C5=NCCN5
InChI
InChI=1S/C21H18N4O2/c26-17-12-19(13-1-3-14(4-2-13)20-22-7-8-23-20)27-18-6-5-15(11-16(17)18)21-24-9-10-25-21/h1-6,11-12H,7-10H2,(H,22,23)(H,24,25)
InChIKey
VMIJKICRKDNUBE-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.14297 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 182.7
[M+Na]+ 381.13219 190.8
[M-H]- 357.13569 190.0
[M+NH4]+ 376.17679 191.0
[M+K]+ 397.10613 183.5
[M+H-H2O]+ 341.14023 171.8
[M+HCOO]- 403.14117 196.9
[M+CH3COO]- 417.15682 191.6
[M+Na-2H]- 379.11764 182.6
[M]+ 358.14242 179.3
[M]- 358.14352 179.3
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

No patent data available for this compound.