CID 3061296

Brn 4509151

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CC1=CC=C(C=C1)C(=O)NNC2=NC3=CC=CC=C3OC2

InChI

InChI=1S/C16H15N3O2/c1-11-6-8-12(9-7-11)16(20)19-18-15-10-21-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,17,18)(H,19,20)

InChIKey

WNKWWZLIDRUQLS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.5
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	164.1
[M+Na]+	304.105638	170.6
[M-H]-	280.109144	170.8
[M+NH4]+	299.150243	177.4
[M+K]+	320.079578	167.5
[M+H-H2O]+	264.113680	154.7
[M+HCOO]-	326.114621	185.5
[M+CH3COO]-	340.130271	175.2
[M+Na-2H]-	302.091086	172.3
[M]+	281.11587142	163.0
[M]-	281.11696858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.