CID 31092

22244-18-4

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CCCNC(=O)C1CNC2=CC=CC=C2O1

InChI

InChI=1S/C12H16N2O2/c1-2-7-13-12(15)11-8-14-9-5-3-4-6-10(9)16-11/h3-6,11,14H,2,7-8H2,1H3,(H,13,15)

InChIKey

MNXXJUKTNKKCCX-UHFFFAOYSA-N

Compound name

N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 1
Patents: 220.12119 Da
Monoisotopic Mass: 1.9
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]+	221.12847	150.2
[M+Na]+	243.11041	161.1
[M+NH4]+	238.15501	157.7
[M+K]+	259.08435	155.3
[M-H]-	219.11391	153.0
[M+Na-2H]-	241.09586	154.3
[M]+	220.12064	152.3
[M]-	220.12174	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe