CID 45054383

2-(3,4-dimethoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo(3.1.0)hex-3-ene

Structural Information

Molecular Formula

C₂₄H₂₂N₂O₂

SMILES

COC1=C(C=C(C=C1)C2N=C(C3N2C3C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C24H22N2O2/c1-27-19-14-13-18(15-20(19)28-2)24-25-21(16-9-5-3-6-10-16)23-22(26(23)24)17-11-7-4-8-12-17/h3-15,22-24H,1-2H3

InChIKey

NKJZBGHLJGKNOS-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-4,6-diphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.16812 Da
Monoisotopic Mass: 4.5
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]+	371.175396	191.7
[M+Na]+	393.157338	202.3
[M-H]-	369.160844	203.1
[M+NH4]+	388.201943	199.2
[M+K]+	409.131278	195.1
[M+H-H2O]+	353.165380	181.4
[M+HCOO]-	415.166321	212.5
[M+CH3COO]-	429.181971	201.9
[M+Na-2H]-	391.142786	192.9
[M]+	370.16757142	197.0
[M]-	370.16866858	197.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.