CID 3054333

Brn 1008454

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=CC=CC=C4N3C

InChI

InChI=1S/C18H14N2O2/c1-11-7-8-16-12(9-11)17(21)13-10-19-14-5-3-4-6-15(14)20(2)18(13)22-16/h3-10H,1-2H3

InChIKey

LXCFRHJGQKKFCC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.10553 Da
Monoisotopic Mass: 3.2
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]+	291.112806	166.0
[M+Na]+	313.094748	177.9
[M-H]-	289.098254	172.9
[M+NH4]+	308.139353	180.8
[M+K]+	329.068688	177.1
[M+H-H2O]+	273.102790	158.5
[M+HCOO]-	335.103731	183.6
[M+CH3COO]-	349.119381	178.2
[M+Na-2H]-	311.080196	174.9
[M]+	290.10498142	167.8
[M]-	290.10607858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.