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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.195816	172.6
[M+Na]+	322.177758	176.4
[M-H]-	298.181264	174.4
[M+NH4]+	317.222363	189.8
[M+K]+	338.151698	171.3
[M+H-H2O]+	282.185800	163.6
[M+HCOO]-	344.186741	181.5
[M+CH3COO]-	358.202391	180.7
[M+Na-2H]-	320.163206	175.2
[M]+	299.18799142	166.0
[M]-	299.18908858	166.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.