CID 135408949

Nsc648494

Structural Information

Molecular Formula
C17H12N4O2
SMILES
C1=CC=C(C=C1)CC2=NN3C(=O)C4=CC=CC=C4N=C3NC2=O
InChI
InChI=1S/C17H12N4O2/c22-15-14(10-11-6-2-1-3-7-11)20-21-16(23)12-8-4-5-9-13(12)18-17(21)19-15/h1-9H,10H2,(H,18,19,22)
InChIKey
KARWCKAYLMFSBN-UHFFFAOYSA-N
Compound name
2-benzyl-4H-[1,2,4]triazino[3,2-b]quinazoline-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.09604 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10332 171.5
[M+Na]+ 327.08526 183.9
[M-H]- 303.08876 174.2
[M+NH4]+ 322.12986 182.0
[M+K]+ 343.05920 175.5
[M+H-H2O]+ 287.09330 160.1
[M+HCOO]- 349.09424 188.9
[M+CH3COO]- 363.10989 182.0
[M+Na-2H]- 325.07071 181.4
[M]+ 304.09549 173.1
[M]- 304.09659 173.1
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.