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
2
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]+ 282.160076 165.9
[M+Na]+ 304.142018 174.1
[M-H]- 280.145524 168.0
[M+NH4]+ 299.186623 179.7
[M+K]+ 320.115958 170.8
[M+H-H2O]+ 264.150060 157.1
[M+HCOO]- 326.151001 177.7
[M+CH3COO]- 340.166651 175.2
[M+Na-2H]- 302.127466 172.2
[M]+ 281.15225142 159.9
[M]- 281.15334858 159.9
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.