CID 22335402

601514-63-0

Structural Information

Molecular Formula

C₁₅H₁₅BrN₂

SMILES

C1CN(CC2=C1C(=NC=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C15H15BrN2/c16-15-14-7-9-18(11-13(14)6-8-17-15)10-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2

InChIKey

OCLBQOVXDRFJSI-UHFFFAOYSA-N

Compound name

2-benzyl-5-bromo-3,4-dihydro-1H-2,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 302.04187 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]+	303.04915	162.3
[M+Na]+	325.03109	172.3
[M-H]-	301.03459	168.9
[M+NH4]+	320.07569	179.3
[M+K]+	341.00503	159.9
[M+H-H2O]+	285.03913	160.2
[M+HCOO]-	347.04007	178.4
[M+CH3COO]-	361.05572	174.9
[M+Na-2H]-	323.01654	170.1
[M]+	302.04132	178.1
[M]-	302.04242	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe