CID 3048027

63870-10-0

Structural Information

Molecular Formula
C22H27NO
SMILES
CCC12CCN(C(C1)CC3=C2C=C(C=C3)O)CCC4=CC=CC=C4
InChI
InChI=1S/C22H27NO/c1-2-22-11-13-23(12-10-17-6-4-3-5-7-17)19(16-22)14-18-8-9-20(24)15-21(18)22/h3-9,15,19,24H,2,10-14,16H2,1H3
InChIKey
BMIQEEDDIJOSTQ-UHFFFAOYSA-N
Compound name
1-ethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 180.5
[M+Na]+ 344.19848 185.8
[M-H]- 320.20198 183.4
[M+NH4]+ 339.24308 197.0
[M+K]+ 360.17242 179.0
[M+H-H2O]+ 304.20652 170.7
[M+HCOO]- 366.20746 192.8
[M+CH3COO]- 380.22311 189.0
[M+Na-2H]- 342.18393 185.3
[M]+ 321.20871 177.1
[M]- 321.20981 177.1
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.