CID 205009

17184-84-8

Structural Information

Molecular Formula
C20H25NO
SMILES
CCCC1(CN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)O
InChI
InChI=1S/C20H25NO/c1-2-12-20(18-9-6-10-19(22)14-18)15-21(16-20)13-11-17-7-4-3-5-8-17/h3-10,14,22H,2,11-13,15-16H2,1H3
InChIKey
ZHQRJLRJFLFTLS-UHFFFAOYSA-N
Compound name
3-[1-(2-phenylethyl)-3-propylazetidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 171.7
[M+Na]+ 318.18282 176.8
[M-H]- 294.18632 177.9
[M+NH4]+ 313.22742 180.5
[M+K]+ 334.15676 174.4
[M+H-H2O]+ 278.19086 158.0
[M+HCOO]- 340.19180 189.8
[M+CH3COO]- 354.20745 204.8
[M+Na-2H]- 316.16827 175.2
[M]+ 295.19305 179.6
[M]- 295.19415 179.6
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.