CID 514899

102830-66-0

Structural Information

Molecular Formula

C₁₅H₁₄BrNO

SMILES

CC1=CC=C(C=C1)C2CCC3=C(O2)N=CC(=C3)Br

InChI

InChI=1S/C15H14BrNO/c1-10-2-4-11(5-3-10)14-7-6-12-8-13(16)9-17-15(12)18-14/h2-5,8-9,14H,6-7H2,1H3

InChIKey

JVZXWZXGTDWIQW-UHFFFAOYSA-N

Compound name

6-bromo-2-(4-methylphenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 303.02588 Da
Monoisotopic Mass: 4.1
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]+	304.03316	162.8
[M+Na]+	326.01510	173.8
[M-H]-	302.01860	171.9
[M+NH4]+	321.05970	180.1
[M+K]+	341.98904	163.1
[M+H-H2O]+	286.02314	161.4
[M+HCOO]-	348.02408	179.5
[M+CH3COO]-	362.03973	176.4
[M+Na-2H]-	324.00055	170.4
[M]+	303.02533	180.5
[M]-	303.02643	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe