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]+ 260.20088 163.8
[M+Na]+ 282.18282 171.0
[M-H]- 258.18632 164.4
[M+NH4]+ 277.22742 183.9
[M+K]+ 298.15676 166.0
[M+H-H2O]+ 242.19086 156.9
[M+HCOO]- 304.19180 176.5
[M+CH3COO]- 318.20745 174.1
[M+Na-2H]- 280.16827 168.6
[M]+ 259.19305 162.0
[M]- 259.19415 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.