CID 96674

73698-54-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CN1CC2=CC3=C(CN(CO3)C)C=C2OC1

InChI

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

InChIKey

FNLAFZPBHVDDMP-UHFFFAOYSA-N

Compound name

3,8-dimethyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 220.12119 Da
Monoisotopic Mass: 1.3
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]+	221.128466	149.4
[M+Na]+	243.110408	157.3
[M-H]-	219.113914	152.7
[M+NH4]+	238.155013	164.7
[M+K]+	259.084348	156.4
[M+H-H2O]+	203.118450	141.0
[M+HCOO]-	265.119391	162.6
[M+CH3COO]-	279.135041	161.0
[M+Na-2H]-	241.095856	157.1
[M]+	220.12064142	148.3
[M]-	220.12173858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe