CID 465241

Chembl1094318

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC(C)C1CN2C3=C(CN1CC(=C)C)C=CC=C3NC2=O
InChI
InChI=1S/C17H23N3O/c1-11(2)8-19-9-13-6-5-7-14-16(13)20(17(21)18-14)10-15(19)12(3)4/h5-7,12,15H,1,8-10H2,2-4H3,(H,18,21)
InChIKey
BRIYXCPZWZIOPQ-UHFFFAOYSA-N
Compound name
10-(2-methylprop-2-enyl)-11-propan-2-yl-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

2
References

0
Patents

285.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 168.3
[M+Na]+ 308.17332 176.4
[M-H]- 284.17682 169.9
[M+NH4]+ 303.21792 183.4
[M+K]+ 324.14726 174.4
[M+H-H2O]+ 268.18136 160.6
[M+HCOO]- 330.18230 182.2
[M+CH3COO]- 344.19795 178.3
[M+Na-2H]- 306.15877 169.3
[M]+ 285.18355 166.9
[M]- 285.18465 166.9
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.