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]+ 256.144436 158.1
[M+Na]+ 278.126378 165.7
[M-H]- 254.129884 159.1
[M+NH4]+ 273.170983 173.5
[M+K]+ 294.100318 159.9
[M+H-H2O]+ 238.134420 147.6
[M+HCOO]- 300.135361 170.2
[M+CH3COO]- 314.151011 167.9
[M+Na-2H]- 276.111826 165.7
[M]+ 255.13661142 153.6
[M]- 255.13770858 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.