CID 29942140

173838-67-0

Structural Information

Molecular Formula
C20H18N4O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCN3C=C(N=C3)C4=CN=CC=C4
InChI
InChI=1S/C20H18N4O2/c25-19-16-7-1-2-8-17(16)20(26)24(19)11-4-3-10-23-13-18(22-14-23)15-6-5-9-21-12-15/h1-2,5-9,12-14H,3-4,10-11H2
InChIKey
MOYLFIZRERPAKM-UHFFFAOYSA-N
Compound name
2-[4-(4-pyridin-3-ylimidazol-1-yl)butyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

346.14297 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 183.1
[M+Na]+ 369.13219 192.2
[M-H]- 345.13569 189.2
[M+NH4]+ 364.17679 195.0
[M+K]+ 385.10613 185.7
[M+H-H2O]+ 329.14023 172.0
[M+HCOO]- 391.14117 201.9
[M+CH3COO]- 405.15682 193.2
[M+Na-2H]- 367.11764 183.0
[M]+ 346.14242 185.4
[M]- 346.14352 185.4
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