CID 208799

33047-32-4

Structural Information

Molecular Formula
C15H17N3O
SMILES
C1CCN2C(C1)CCN3C2=NC4=CC=CC=C4C3=O
InChI
InChI=1S/C15H17N3O/c19-14-12-6-1-2-7-13(12)16-15-17-9-4-3-5-11(17)8-10-18(14)15/h1-2,6-7,11H,3-5,8-10H2
InChIKey
OTXKTAPGQXXKEL-UHFFFAOYSA-N
Compound name
2,10,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12,14,16-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 159.8
[M+Na]+ 278.12638 174.8
[M+NH4]+ 273.17098 169.3
[M+K]+ 294.10032 166.1
[M-H]- 254.12988 162.7
[M+Na-2H]- 276.11183 164.9
[M]+ 255.13661 162.8
[M]- 255.13771 162.8
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.