CID 361916

Nsc625351

Structural Information

Molecular Formula
C18H15N3O3
SMILES
C1CC23CC(C=CC=C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5
InChI
InChI=1S/C18H15N3O3/c22-15-9-10-18-11-13(7-4-8-14(15)18)20-16(23)19(17(24)21(18)20)12-5-2-1-3-6-12/h1-8,13H,9-11H2
InChIKey
REWBQGXKDPADRT-UHFFFAOYSA-N
Compound name
12-phenyl-10,12,14-triazatetracyclo[7.5.1.01,5.010,14]pentadeca-5,7-diene-4,11,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11861 175.8
[M+Na]+ 344.10055 187.6
[M-H]- 320.10405 184.4
[M+NH4]+ 339.14515 195.7
[M+K]+ 360.07449 183.3
[M+H-H2O]+ 304.10859 168.1
[M+HCOO]- 366.10953 194.4
[M+CH3COO]- 380.12518 187.6
[M+Na-2H]- 342.08600 176.4
[M]+ 321.11078 177.0
[M]- 321.11188 177.0
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.