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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.112806	160.7
[M+Na]+	289.094748	171.2
[M-H]-	265.098254	165.1
[M+NH4]+	284.139353	175.1
[M+K]+	305.068688	165.4
[M+H-H2O]+	249.102790	151.6
[M+HCOO]-	311.103731	180.4
[M+CH3COO]-	325.119381	172.6
[M+Na-2H]-	287.080196	167.4
[M]+	266.10498142	162.0
[M]-	266.10607858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.