CID 6433495

1-cinnamyl-3-phenylazetidine

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]+ 250.15903 155.7
[M+Na]+ 272.14097 166.6
[M+NH4]+ 267.18557 161.2
[M+K]+ 288.11491 158.9
[M-H]- 248.14447 159.3
[M+Na-2H]- 270.12642 164.3
[M]+ 249.15120 157.3
[M]- 249.15230 157.3
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.