CID 46782643

191546-96-0

Structural Information

Molecular Formula
C17H17N3O
SMILES
CN1CCN2C(C1=O)C3=CC=CC=C3CC4=C2N=CC=C4
InChI
InChI=1S/C17H17N3O/c1-19-9-10-20-15(17(19)21)14-7-3-2-5-12(14)11-13-6-4-8-18-16(13)20/h2-8,15H,9-11H2,1H3
InChIKey
NWXITVQAKIFZLZ-UHFFFAOYSA-N
Compound name
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

279.13718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 165.7
[M+Na]+ 302.12640 179.1
[M+NH4]+ 297.17100 173.9
[M+K]+ 318.10034 172.1
[M-H]- 278.12990 168.3
[M+Na-2H]- 300.11185 170.7
[M]+ 279.13663 168.5
[M]- 279.13773 168.5
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

patents stripe