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 154.7
[M+Na]+ 272.14097 159.9
[M-H]- 248.14447 161.9
[M+NH4]+ 267.18557 163.9
[M+K]+ 288.11491 157.5
[M+H-H2O]+ 232.14901 140.7
[M+HCOO]- 294.14995 175.0
[M+CH3COO]- 308.16560 197.6
[M+Na-2H]- 270.12642 159.9
[M]+ 249.15120 161.0
[M]- 249.15230 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.