CID 3051187

67293-80-5

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1C2CN(CC1OC3=CC=CC=C23)CC(COC4=CC=CC=C4)O
InChI
InChI=1S/C20H23NO3/c22-16(14-23-17-6-2-1-3-7-17)12-21-11-15-10-18(13-21)24-20-9-5-4-8-19(15)20/h1-9,15-16,18,22H,10-14H2
InChIKey
MOWYVUIQBBHTKE-UHFFFAOYSA-N
Compound name
1-(8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl)-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 175.1
[M+Na]+ 348.15702 178.8
[M-H]- 324.16052 178.3
[M+NH4]+ 343.20162 187.5
[M+K]+ 364.13096 175.2
[M+H-H2O]+ 308.16506 165.5
[M+HCOO]- 370.16600 186.6
[M+CH3COO]- 384.18165 183.5
[M+Na-2H]- 346.14247 180.7
[M]+ 325.16725 173.3
[M]- 325.16835 173.3
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.