CID 504501

2,2-dimethylbut-3-enyl(methyl)[?]one

Structural Information

Molecular Formula
C17H23N3O
SMILES
C[C@H]1CN2C3=C(CN1CC(C)(C)C=C)C=CC=C3NC2=O
InChI
InChI=1S/C17H23N3O/c1-5-17(3,4)11-19-10-13-7-6-8-14-15(13)20(9-12(19)2)16(21)18-14/h5-8,12H,1,9-11H2,2-4H3,(H,18,21)/t12-/m0/s1
InChIKey
OFDHEGLHPLFAEP-LBPRGKRZSA-N
Compound name
(11S)-10-(2,2-dimethylbut-3-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 171.3
[M+Na]+ 308.17332 180.2
[M-H]- 284.17682 172.9
[M+NH4]+ 303.21792 186.5
[M+K]+ 324.14726 177.6
[M+H-H2O]+ 268.18136 163.8
[M+HCOO]- 330.18230 185.4
[M+CH3COO]- 344.19795 203.5
[M+Na-2H]- 306.15877 174.9
[M]+ 285.18355 170.5
[M]- 285.18465 170.5
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.