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]+ 248.16451 156.1
[M+Na]+ 270.14645 162.8
[M-H]- 246.14995 157.5
[M+NH4]+ 265.19105 174.9
[M+K]+ 286.12039 161.6
[M+H-H2O]+ 230.15449 151.1
[M+HCOO]- 292.15543 168.2
[M+CH3COO]- 306.17108 166.3
[M+Na-2H]- 268.13190 161.4
[M]+ 247.15668 150.7
[M]- 247.15778 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.