CID 452839

131515-07-6

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1CN2C3=C(CN1CC(=C(C)C)C)C=CC=C3NC2=O
InChI
InChI=1S/C17H23N3O/c1-11(2)12(3)8-19-10-14-6-5-7-15-16(14)20(9-13(19)4)17(21)18-15/h5-7,13H,8-10H2,1-4H3,(H,18,21)
InChIKey
LKUFOZJEZBLNMJ-UHFFFAOYSA-N
Compound name
10-(2,3-dimethylbut-2-enyl)-11-methyl-1,3,10-triazatricyclo[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

285.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 168.5
[M+Na]+ 308.17332 176.7
[M-H]- 284.17682 170.1
[M+NH4]+ 303.21792 183.7
[M+K]+ 324.14726 174.7
[M+H-H2O]+ 268.18136 160.8
[M+HCOO]- 330.18230 182.5
[M+CH3COO]- 344.19795 178.5
[M+Na-2H]- 306.15877 169.5
[M]+ 285.18355 167.1
[M]- 285.18465 167.1
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.