CID 5486107

63732-84-3

Structural Information

Molecular Formula
C22H33NO
SMILES
CCCCCCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C22H33NO/c1-2-3-4-7-13-23-14-12-22-11-6-5-8-19(22)21(23)15-17-9-10-18(24)16-20(17)22/h9-10,16,19,21,24H,2-8,11-15H2,1H3/t19-,21+,22+/m0/s1
InChIKey
GZTDKVLKMSSQPS-KSEOMHKRSA-N
Compound name
(1R,9R,10R)-17-hexyl-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

327.25623 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.26351 184.0
[M+Na]+ 350.24545 186.6
[M-H]- 326.24895 185.1
[M+NH4]+ 345.29005 200.3
[M+K]+ 366.21939 180.2
[M+H-H2O]+ 310.25349 174.1
[M+HCOO]- 372.25443 192.5
[M+CH3COO]- 386.27008 191.0
[M+Na-2H]- 348.23090 185.9
[M]+ 327.25568 178.1
[M]- 327.25678 178.1
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.