CID 6602231

63868-13-3

Structural Information

Molecular Formula
C24H29NO2
SMILES
C1CC[C@@]23CCN([C@@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCOC5=CC=CC=C5
InChI
InChI=1S/C24H29NO2/c26-19-10-9-18-16-23-21-8-4-5-11-24(21,22(18)17-19)12-13-25(23)14-15-27-20-6-2-1-3-7-20/h1-3,6-7,9-10,17,21,23,26H,4-5,8,11-16H2/t21-,23+,24+/m0/s1
InChIKey
IKUMFSXVTRKTPS-QPTUXGOLSA-N
Compound name
(1R,9R,10R)-17-(2-phenoxyethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 189.9
[M+Na]+ 386.20904 192.7
[M-H]- 362.21254 194.2
[M+NH4]+ 381.25364 203.8
[M+K]+ 402.18298 186.0
[M+H-H2O]+ 346.21708 177.8
[M+HCOO]- 408.21802 199.1
[M+CH3COO]- 422.23367 196.6
[M+Na-2H]- 384.19449 193.0
[M]+ 363.21927 183.3
[M]- 363.22037 183.3
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.