CID 465283

Chembl68175

Structural Information

Molecular Formula
C15H19N3O
SMILES
CC1CN(CC2=C3N1C(=O)NC3=CC=C2)CC(=C)C
InChI
InChI=1S/C15H19N3O/c1-10(2)7-17-8-11(3)18-14-12(9-17)5-4-6-13(14)16-15(18)19/h4-6,11H,1,7-9H2,2-3H3,(H,16,19)
InChIKey
CDEPZSKTKQYQEQ-UHFFFAOYSA-N
Compound name
12-methyl-10-(2-methylprop-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

4
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 160.1
[M+Na]+ 280.14202 169.4
[M-H]- 256.14552 161.9
[M+NH4]+ 275.18662 176.3
[M+K]+ 296.11596 167.1
[M+H-H2O]+ 240.15006 152.5
[M+HCOO]- 302.15100 175.7
[M+CH3COO]- 316.16665 171.0
[M+Na-2H]- 278.12747 163.1
[M]+ 257.15225 158.7
[M]- 257.15335 158.7
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.