CID 2200

Antazoline

Structural Information

Molecular Formula

C₁₇H₁₉N₃

SMILES

C1CN=C(N1)CN(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)

InChIKey

REYFJDPCWQRWAA-UHFFFAOYSA-N

Compound name

N-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 262
References: 13516
Patents: 265.1579 Da
Monoisotopic Mass: 2.6
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]+	266.16518	161.1
[M+Na]+	288.14712	165.4
[M-H]-	264.15062	167.2
[M+NH4]+	283.19172	175.2
[M+K]+	304.12106	160.5
[M+H-H2O]+	248.15516	150.6
[M+HCOO]-	310.15610	182.6
[M+CH3COO]-	324.17175	171.5
[M+Na-2H]-	286.13257	165.8
[M]+	265.15735	157.6
[M]-	265.15845	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe