CID 6450705

117297-70-8

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

11
Patents

279.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 166.5
[M+Na]+ 302.126398 173.4
[M-H]- 278.129904 171.6
[M+NH4]+ 297.171003 179.4
[M+K]+ 318.100338 167.4
[M+H-H2O]+ 262.134440 155.6
[M+HCOO]- 324.135381 185.6
[M+CH3COO]- 338.151031 176.8
[M+Na-2H]- 300.111846 168.8
[M]+ 279.13663142 164.0
[M]- 279.13772858 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