CID 3061292

Brn 4704180

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

C1C(=NC2=CC=CC=C2O1)NNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H15N3O2/c20-16(10-12-6-2-1-3-7-12)19-18-15-11-21-14-9-5-4-8-13(14)17-15/h1-9H,10-11H2,(H,17,18)(H,19,20)

InChIKey

CDURWUBQNVFIFI-UHFFFAOYSA-N

Compound name

N'-(2H-1,4-benzoxazin-3-yl)-2-phenylacetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.1
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]+	282.123696	162.9
[M+Na]+	304.105638	168.5
[M-H]-	280.109144	169.3
[M+NH4]+	299.150243	176.0
[M+K]+	320.079578	165.4
[M+H-H2O]+	264.113680	153.4
[M+HCOO]-	326.114621	184.4
[M+CH3COO]-	340.130271	173.7
[M+Na-2H]-	302.091086	172.0
[M]+	281.11587142	161.4
[M]-	281.11696858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.