CID 5504

Tolazoline

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

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

InChI

InChI=1S/C10H12N2/c1-2-4-9(5-3-1)8-10-11-6-7-12-10/h1-5H,6-8H2,(H,11,12)

InChIKey

JIVZKJJQOZQXQB-UHFFFAOYSA-N

Compound name

2-benzyl-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1205
References: 15807
Patents: 160.10005 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]+	161.10733	133.7
[M+Na]+	183.08927	140.6
[M-H]-	159.09277	136.0
[M+NH4]+	178.13387	152.5
[M+K]+	199.06321	137.0
[M+H-H2O]+	143.09731	125.8
[M+HCOO]-	205.09825	154.7
[M+CH3COO]-	219.11390	146.3
[M+Na-2H]-	181.07472	139.9
[M]+	160.09950	129.9
[M]-	160.10060	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe