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]+ 322.216536 180.5
[M+Na]+ 344.198478 185.8
[M-H]- 320.201984 183.4
[M+NH4]+ 339.243083 197.0
[M+K]+ 360.172418 179.0
[M+H-H2O]+ 304.206520 170.7
[M+HCOO]- 366.207461 192.8
[M+CH3COO]- 380.223111 189.0
[M+Na-2H]- 342.183926 185.3
[M]+ 321.20871142 177.1
[M]- 321.20980858 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.