CID 520756

N-benzylisatoic anhydride

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)OC2=O

InChI

InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

XZNZVRHSHRYPDL-UHFFFAOYSA-N

Compound name

1-benzyl-3,1-benzoxazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 253.0739 Da
Monoisotopic Mass: 2.7
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]+	254.08118	152.9
[M+Na]+	276.06312	163.9
[M-H]-	252.06662	160.7
[M+NH4]+	271.10772	168.4
[M+K]+	292.03706	160.4
[M+H-H2O]+	236.07116	144.3
[M+HCOO]-	298.07210	175.4
[M+CH3COO]-	312.08775	166.5
[M+Na-2H]-	274.04857	162.1
[M]+	253.07335	156.1
[M]-	253.07445	156.1

Literature stripe

literature stripe

Patent stripe

patents stripe