CID 6433495

Azetidine, 1-cinnamyl-3-phenyl-

Structural Information

Molecular Formula
C18H19N
SMILES
C1C(CN1C/C=C/C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19N/c1-3-8-16(9-4-1)10-7-13-19-14-18(15-19)17-11-5-2-6-12-17/h1-12,18H,13-15H2/b10-7+
InChIKey
YJVUGDKPMIUNNL-JXMROGBWSA-N
Compound name
3-phenyl-1-[(E)-3-phenylprop-2-enyl]azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.159026 154.7
[M+Na]+ 272.140968 159.9
[M-H]- 248.144474 161.9
[M+NH4]+ 267.185573 163.9
[M+K]+ 288.114908 157.5
[M+H-H2O]+ 232.149010 140.7
[M+HCOO]- 294.149951 175.0
[M+CH3COO]- 308.165601 197.6
[M+Na-2H]- 270.126416 159.9
[M]+ 249.15120142 161.0
[M]- 249.15229858 161.0
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

No patent data available for this compound.