CID 453616

136723-28-9

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CC1CC2(C3=C(CN1CC(=C)C)C=CC=C3NC2=O)O
InChI
InChI=1S/C16H20N2O2/c1-10(2)8-18-9-12-5-4-6-13-14(12)16(20,7-11(18)3)15(19)17-13/h4-6,11,20H,1,7-9H2,2-3H3,(H,17,19)
InChIKey
HHFCEHFUHAQKOH-UHFFFAOYSA-N
Compound name
1-hydroxy-11-methyl-10-(2-methylprop-2-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.15247 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.8
[M+Na]+ 295.14169 171.9
[M-H]- 271.14519 165.9
[M+NH4]+ 290.18629 182.6
[M+K]+ 311.11563 169.4
[M+H-H2O]+ 255.14973 158.6
[M+HCOO]- 317.15067 177.1
[M+CH3COO]- 331.16632 174.5
[M+Na-2H]- 293.12714 166.3
[M]+ 272.15192 160.2
[M]- 272.15302 160.2
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.