CID 5746393

75023-03-9

Structural Information

Molecular Formula
C15H21NO2
SMILES
C[C@@]12CCN(CC(C1)CC3=CC(=C(C=C23)O)O)C
InChI
InChI=1S/C15H21NO2/c1-15-3-4-16(2)9-10(8-15)5-11-6-13(17)14(18)7-12(11)15/h6-7,10,17-18H,3-5,8-9H2,1-2H3/t10?,15-/m1/s1
InChIKey
PDMAKDGHHRBAAF-GENIYJEYSA-N
Compound name
(1S)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2,4,6-triene-4,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 156.1
[M+Na]+ 270.146448 162.8
[M-H]- 246.149954 157.5
[M+NH4]+ 265.191053 174.9
[M+K]+ 286.120388 161.6
[M+H-H2O]+ 230.154490 151.1
[M+HCOO]- 292.155431 168.2
[M+CH3COO]- 306.171081 166.3
[M+Na-2H]- 268.131896 161.4
[M]+ 247.15668142 150.7
[M]- 247.15777858 150.7
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.