CID 3048354

63903-73-1

Structural Information

Molecular Formula
C17H25NO
SMILES
CCCN1CC[C@@]2([C@H]([C@@H]1CC3=C2C=C(C=C3)O)C)C
InChI
InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16-,17+/m0/s1
InChIKey
ZEAPGLAZVMAAGJ-AFAVFJNCSA-N
Compound name
(1R,9S,13R)-1,13-dimethyl-10-propyl-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

1
References

0
Patents

259.1936 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.8
[M+Na]+ 282.182818 171.0
[M-H]- 258.186324 164.4
[M+NH4]+ 277.227423 183.9
[M+K]+ 298.156758 166.0
[M+H-H2O]+ 242.190860 156.9
[M+HCOO]- 304.191801 176.5
[M+CH3COO]- 318.207451 174.1
[M+Na-2H]- 280.168266 168.6
[M]+ 259.19305142 162.0
[M]- 259.19414858 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.