CID 848487

86672-58-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C)C(=O)O2

InChI

InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)

InChIKey

GFWNGVKCDGYFKG-UHFFFAOYSA-N

Compound name

6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 14
Patents: 266.10553 Da
Monoisotopic Mass: 3.4
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	160.1
[M+Na]+	289.094748	170.5
[M-H]-	265.098254	168.0
[M+NH4]+	284.139353	175.1
[M+K]+	305.068688	166.7
[M+H-H2O]+	249.102790	151.3
[M+HCOO]-	311.103731	182.9
[M+CH3COO]-	325.119381	173.1
[M+Na-2H]-	287.080196	168.4
[M]+	266.10498142	162.8
[M]-	266.10607858	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe