CID 3054330

Brn 0994900

Structural Information

Molecular Formula

C₁₆H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)NC4=CC=CC=C4N=C3

InChI

InChI=1S/C16H10N2O2/c19-15-10-5-1-4-8-14(10)20-16-11(15)9-17-12-6-2-3-7-13(12)18-16/h1-9,18H

InChIKey

CSKPIXHLJPICKM-UHFFFAOYSA-N

Compound name

6H-chromeno[2,3-b][1,5]benzodiazepin-13-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.07422 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]+	263.081496	155.8
[M+Na]+	285.063438	166.5
[M-H]-	261.066944	161.0
[M+NH4]+	280.108043	170.4
[M+K]+	301.037378	165.0
[M+H-H2O]+	245.071480	148.7
[M+HCOO]-	307.072421	172.7
[M+CH3COO]-	321.088071	167.6
[M+Na-2H]-	283.048886	166.8
[M]+	262.07367142	154.6
[M]-	262.07476858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.