CID 3073416

148680-60-8

Structural Information

Molecular Formula
C18H14N4O2
SMILES
C1C2C(=O)N(N=CN2N=C1C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O2/c23-17(14-9-5-2-6-10-14)22-18(24)16-11-15(20-21(16)12-19-22)13-7-3-1-4-8-13/h1-10,12,16H,11H2
InChIKey
OIDBUIBCMNUHAD-UHFFFAOYSA-N
Compound name
5-benzoyl-2-phenyl-3,3a-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.11166 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11894 174.1
[M+Na]+ 341.10088 189.2
[M+NH4]+ 336.14548 180.9
[M+K]+ 357.07482 183.7
[M-H]- 317.10438 177.9
[M+Na-2H]- 339.08633 182.6
[M]+ 318.11111 177.2
[M]- 318.11221 177.2
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.