CID 5492997

Brn 1586650

Structural Information

Molecular Formula
C16H14N2O2
SMILES
CC1=NN(C(=O)C2=C1C=CC=C2O)CC3=CC=CC=C3
InChI
InChI=1S/C16H14N2O2/c1-11-13-8-5-9-14(19)15(13)16(20)18(17-11)10-12-6-3-2-4-7-12/h2-9,19H,10H2,1H3
InChIKey
UONGKPROLHLAKO-UHFFFAOYSA-N
Compound name
2-benzyl-8-hydroxy-4-methylphthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.7
[M+Na]+ 289.09475 177.9
[M+NH4]+ 284.13935 168.9
[M+K]+ 305.06869 169.5
[M-H]- 265.09825 164.8
[M+Na-2H]- 287.08020 169.8
[M]+ 266.10498 164.4
[M]- 266.10608 164.4
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.