CID 5745738

63867-92-5

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(=O)CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O
InChI
InChI=1S/C19H25NO2/c1-13(21)12-20-9-8-19-7-3-2-4-16(19)18(20)10-14-5-6-15(22)11-17(14)19/h5-6,11,16,18,22H,2-4,7-10,12H2,1H3/t16-,18+,19+/m0/s1
InChIKey
JXCWCFNXJLYNDP-QXAKKESOSA-N
Compound name
1-[(1R,9R,10R)-4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-17-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.9
[M+Na]+ 322.17776 185.5
[M+NH4]+ 317.22236 184.6
[M+K]+ 338.15170 175.7
[M-H]- 298.18126 176.8
[M+Na-2H]- 320.16321 177.6
[M]+ 299.18799 176.4
[M]- 299.18909 176.4
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.