CID 3061294

Brn 4521790

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₃

SMILES

COC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3OC2

InChI

InChI=1S/C16H15N3O3/c1-21-12-8-6-11(7-9-12)16(20)19-18-15-10-22-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,17,18)(H,19,20)

InChIKey

WVTQPTWXTOVLHQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.11133 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]+	298.118606	166.7
[M+Na]+	320.100548	173.0
[M-H]-	296.104054	173.5
[M+NH4]+	315.145153	179.3
[M+K]+	336.074488	170.6
[M+H-H2O]+	280.108590	157.1
[M+HCOO]-	342.109531	188.3
[M+CH3COO]-	356.125181	205.6
[M+Na-2H]-	318.085996	175.1
[M]+	297.11078142	167.0
[M]-	297.11187858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.