CID 6450705

(e)-1-cinnamyl-3-(3-pyridyl)-2-imidazolidinone

Structural Information

Molecular Formula
C17H17N3O
SMILES
C1CN(C(=O)N1C/C=C/C2=CC=CC=C2)C3=CN=CC=C3
InChI
InChI=1S/C17H17N3O/c21-17-19(11-5-8-15-6-2-1-3-7-15)12-13-20(17)16-9-4-10-18-14-16/h1-10,14H,11-13H2/b8-5+
InChIKey
QFDUAXPDICROKG-VMPITWQZSA-N
Compound name
1-[(E)-3-phenylprop-2-enyl]-3-pyridin-3-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

279.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 166.5
[M+Na]+ 302.12640 173.4
[M-H]- 278.12990 171.6
[M+NH4]+ 297.17100 179.4
[M+K]+ 318.10034 167.4
[M+H-H2O]+ 262.13444 155.6
[M+HCOO]- 324.13538 185.6
[M+CH3COO]- 338.15103 176.8
[M+Na-2H]- 300.11185 168.8
[M]+ 279.13663 164.0
[M]- 279.13773 164.0
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