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 158.1
[M+Na]+ 278.12638 165.7
[M-H]- 254.12988 159.1
[M+NH4]+ 273.17098 173.5
[M+K]+ 294.10032 159.9
[M+H-H2O]+ 238.13442 147.6
[M+HCOO]- 300.13536 170.2
[M+CH3COO]- 314.15101 167.9
[M+Na-2H]- 276.11183 165.7
[M]+ 255.13661 153.6
[M]- 255.13771 153.6
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.