CID 586554

108790-62-1

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC12CN3CC(C1=O)(CN(C2)C3C4=CC=C(C=C4)O)C
InChI
InChI=1S/C16H20N2O2/c1-15-7-17-9-16(2,14(15)20)10-18(8-15)13(17)11-3-5-12(19)6-4-11/h3-6,13,19H,7-10H2,1-2H3
InChIKey
UPGONPAADHTFSG-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.15247 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 165.4
[M+Na]+ 295.14169 170.9
[M-H]- 271.14519 160.8
[M+NH4]+ 290.18629 187.5
[M+K]+ 311.11563 166.2
[M+H-H2O]+ 255.14973 155.7
[M+HCOO]- 317.15067 169.3
[M+CH3COO]- 331.16632 173.2
[M+Na-2H]- 293.12714 175.5
[M]+ 272.15192 166.6
[M]- 272.15302 166.6
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.