CID 463749

Schembl549207

Structural Information

Molecular Formula
C18H16N4O
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)OC4=C3C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C18H16N4O/c1-3-15-13(9-11(1)17-19-5-6-20-17)14-10-12(2-4-16(14)23-15)18-21-7-8-22-18/h1-4,9-10H,5-8H2,(H,19,20)(H,21,22)
InChIKey
MGGIKEHRLSZFTN-UHFFFAOYSA-N
Compound name
2-[8-(4,5-dihydro-1H-imidazol-2-yl)dibenzofuran-2-yl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

304.13242 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13970 166.4
[M+Na]+ 327.12164 175.8
[M-H]- 303.12514 172.4
[M+NH4]+ 322.16624 180.3
[M+K]+ 343.09558 169.9
[M+H-H2O]+ 287.12968 157.8
[M+HCOO]- 349.13062 182.4
[M+CH3COO]- 363.14627 177.1
[M+Na-2H]- 325.10709 166.9
[M]+ 304.13187 165.1
[M]- 304.13297 165.1
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