CID 385598

Nsc676895

Structural Information

Molecular Formula

C₁₉H₁₉NO₂

SMILES

CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H19NO2/c1-12-5-10-16-15(11-12)18(21)22-17(20-16)13-6-8-14(9-7-13)19(2,3)4/h5-11H,1-4H3

InChIKey

ABZNXVRZPNSZMJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 293.14157 Da
Monoisotopic Mass: 5.0
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]+	294.148846	169.9
[M+Na]+	316.130788	180.3
[M-H]-	292.134294	177.7
[M+NH4]+	311.175393	184.4
[M+K]+	332.104728	176.6
[M+H-H2O]+	276.138830	161.5
[M+HCOO]-	338.139771	189.0
[M+CH3COO]-	352.155421	205.2
[M+Na-2H]-	314.116236	176.9
[M]+	293.14102142	173.6
[M]-	293.14211858	173.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.