CID 465270

Chembl304331

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1C(N2C3=C(CN1CC=C(C)C)C=CC=C3NC2=O)C
InChI
InChI=1S/C17H23N3O/c1-11(2)8-9-19-10-14-6-5-7-15-16(14)20(17(21)18-15)13(4)12(19)3/h5-8,12-13H,9-10H2,1-4H3,(H,18,21)
InChIKey
DTGOWMMXWSNHHT-UHFFFAOYSA-N
Compound name
11,12-dimethyl-10-(3-methylbut-2-enyl)-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

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 169.4
[M+Na]+ 308.17332 178.7
[M-H]- 284.17682 171.2
[M+NH4]+ 303.21792 184.9
[M+K]+ 324.14726 176.2
[M+H-H2O]+ 268.18136 161.7
[M+HCOO]- 330.18230 184.2
[M+CH3COO]- 344.19795 179.7
[M+Na-2H]- 306.15877 170.6
[M]+ 285.18355 168.8
[M]- 285.18465 168.8
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.