CID 135503323

Nsc639914

Structural Information

Molecular Formula
C18H15N5O2
SMILES
C1C(=O)NC(=NN1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C18H15N5O2/c24-16-10-19-21-15(20-16)11-23-18(25)14-9-5-4-8-13(14)17(22-23)12-6-2-1-3-7-12/h1-9,19H,10-11H2,(H,20,21,24)
InChIKey
PFBUVHUWQTUZRU-UHFFFAOYSA-N
Compound name
2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methyl]-4-phenylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1226 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12988 182.2
[M+Na]+ 356.11182 190.7
[M-H]- 332.11532 183.3
[M+NH4]+ 351.15642 187.7
[M+K]+ 372.08576 181.4
[M+H-H2O]+ 316.11986 169.5
[M+HCOO]- 378.12080 193.7
[M+CH3COO]- 392.13645 189.5
[M+Na-2H]- 354.09727 187.6
[M]+ 333.12205 177.4
[M]- 333.12315 177.4
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.