CID 462518

(isoquinolylfuranylmethyl)imidazole

Structural Information

Molecular Formula
C17H13N3O
SMILES
C1=CC=C2C(=C1)C=CN=C2C(C3=CC=CO3)N4C=CN=C4
InChI
InChI=1S/C17H13N3O/c1-2-5-14-13(4-1)7-8-19-16(14)17(15-6-3-11-21-15)20-10-9-18-12-20/h1-12,17H
InChIKey
LVYCPRGYAYZMRA-UHFFFAOYSA-N
Compound name
1-[furan-2-yl(imidazol-1-yl)methyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 160.0
[M+Na]+ 298.09509 169.6
[M-H]- 274.09859 168.3
[M+NH4]+ 293.13969 174.6
[M+K]+ 314.06903 165.6
[M+H-H2O]+ 258.10313 150.4
[M+HCOO]- 320.10407 181.7
[M+CH3COO]- 334.11972 172.5
[M+Na-2H]- 296.08054 165.1
[M]+ 275.10532 162.6
[M]- 275.10642 162.6
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

No patent data available for this compound.