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]+ 273.159746 164.8
[M+Na]+ 295.141688 171.9
[M-H]- 271.145194 165.9
[M+NH4]+ 290.186293 182.6
[M+K]+ 311.115628 169.4
[M+H-H2O]+ 255.149730 158.6
[M+HCOO]- 317.150671 177.1
[M+CH3COO]- 331.166321 174.5
[M+Na-2H]- 293.127136 166.3
[M]+ 272.15192142 160.2
[M]- 272.15301858 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

literature stripe

Patent stripe

No patent data available for this compound.