CID 2797400

Maybridge1_000875

Structural Information

Molecular Formula

C₁₈H₁₉ClN₄

SMILES

CC(=NNC1=NCCN1CC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN4/c1-14(16-7-9-17(19)10-8-16)21-22-18-20-11-12-23(18)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,22)

InChIKey

FJHSNOAMKSXMJR-UHFFFAOYSA-N

Compound name

1-benzyl-N-[1-(4-chlorophenyl)ethylideneamino]-4,5-dihydroimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 326.12982 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]+	327.137096	178.0
[M+Na]+	349.119038	184.4
[M-H]-	325.122544	185.8
[M+NH4]+	344.163643	191.5
[M+K]+	365.092978	177.8
[M+H-H2O]+	309.127080	167.3
[M+HCOO]-	371.128021	197.1
[M+CH3COO]-	385.143671	188.3
[M+Na-2H]-	347.104486	180.9
[M]+	326.12927142	178.2
[M]-	326.13036858	178.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.