CID 3033758

96224-19-0

Structural Information

Molecular Formula

C₁₅H₁₉N₃

SMILES

CCN1C=NC2=C1CCC(C2)NC3=CC=CC=C3

InChI

InChI=1S/C15H19N3/c1-2-18-11-16-14-10-13(8-9-15(14)18)17-12-6-4-3-5-7-12/h3-7,11,13,17H,2,8-10H2,1H3

InChIKey

DMXKNQMUGNCUBV-UHFFFAOYSA-N

Compound name

1-ethyl-N-phenyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.1579 Da
Monoisotopic Mass: 2.8
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]+	242.165176	155.7
[M+Na]+	264.147118	162.2
[M-H]-	240.150624	160.1
[M+NH4]+	259.191723	172.9
[M+K]+	280.121058	157.4
[M+H-H2O]+	224.155160	146.6
[M+HCOO]-	286.156101	175.9
[M+CH3COO]-	300.171751	167.0
[M+Na-2H]-	262.132566	160.6
[M]+	241.15735142	152.9
[M]-	241.15844858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe