CID 1348

78351-75-4

Structural Information

Molecular Formula

C₂₀H₁₄ClN₃

SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)

InChIKey

CEHQLKSLMFIHBF-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-4-phenylphthalazin-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 26
References: 187
Patents: 331.08762 Da
Monoisotopic Mass: 5.3
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]+	332.09490	176.8
[M+Na]+	354.07684	186.1
[M-H]-	330.08034	184.2
[M+NH4]+	349.12144	188.8
[M+K]+	370.05078	177.2
[M+H-H2O]+	314.08488	165.6
[M+HCOO]-	376.08582	193.5
[M+CH3COO]-	390.10147	187.2
[M+Na-2H]-	352.06229	184.9
[M]+	331.08707	177.6
[M]-	331.08817	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe