CID 29820

19832-38-3

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC1(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C21H27NO/c1-3-13-21(19-10-7-11-20(15-19)23-2)16-22(17-21)14-12-18-8-5-4-6-9-18/h4-11,15H,3,12-14,16-17H2,1-2H3
InChIKey
BICVFWDMKCHFOM-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(2-phenylethyl)-3-propylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 175.0
[M+Na]+ 332.19848 180.1
[M-H]- 308.20198 182.3
[M+NH4]+ 327.24308 183.9
[M+K]+ 348.17242 178.3
[M+H-H2O]+ 292.20652 160.8
[M+HCOO]- 354.20746 194.2
[M+CH3COO]- 368.22311 210.1
[M+Na-2H]- 330.18393 178.4
[M]+ 309.20871 185.0
[M]- 309.20981 185.0
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.