CID 154700053

Ns00117763

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN1CCN2C(C1)C3=CC=CC=C3CC4=C2NC(=O)C=C4
InChI
InChI=1S/C17H19N3O/c1-19-8-9-20-15(11-19)14-5-3-2-4-12(14)10-13-6-7-16(21)18-17(13)20/h2-7,15H,8-11H2,1H3,(H,18,21)
InChIKey
WKBHWUSDTGYZBT-UHFFFAOYSA-N
Compound name
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16-pentaen-18-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.1
[M+Na]+ 304.14202 178.9
[M+NH4]+ 299.18662 174.0
[M+K]+ 320.11596 172.2
[M-H]- 280.14552 168.2
[M+Na-2H]- 302.12747 170.5
[M]+ 281.15225 168.6
[M]- 281.15335 168.6
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.