CID 3078767

Brn 5074939

Structural Information

Molecular Formula
C15H15N3O
SMILES
C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CN1
InChI
InChI=1S/C15H15N3O/c19-15-9-16-8-14-13-6-3-7-17(13)12-5-2-1-4-11(12)10-18(14)15/h1-7,14,16H,8-10H2
InChIKey
GDFWHFWPYLFNOD-UHFFFAOYSA-N
Compound name
2,9,12-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,14,16-pentaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

253.1215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.4
[M+Na]+ 276.11072 165.5
[M-H]- 252.11422 159.8
[M+NH4]+ 271.15532 173.8
[M+K]+ 292.08466 162.1
[M+H-H2O]+ 236.11876 149.2
[M+HCOO]- 298.11970 170.8
[M+CH3COO]- 312.13535 167.6
[M+Na-2H]- 274.09617 162.4
[M]+ 253.12095 151.2
[M]- 253.12205 151.2
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.