CID 3039571

50820-93-4

Structural Information

Molecular Formula

C₁₇H₁₉N₃O

SMILES

CN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(C)C)O

InChI

InChI=1S/C17H19N3O/c1-19(2)13-10-8-12(9-11-13)16(21)17-18-14-6-4-5-7-15(14)20(17)3/h4-11,16,21H,1-3H3

InChIKey

HFJPVKZJULVAIE-UHFFFAOYSA-N

Compound name

[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 281.1528 Da
Monoisotopic Mass: 2.4
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]+	282.160076	165.9
[M+Na]+	304.142018	174.7
[M-H]-	280.145524	171.9
[M+NH4]+	299.186623	181.9
[M+K]+	320.115958	170.6
[M+H-H2O]+	264.150060	157.1
[M+HCOO]-	326.151001	187.9
[M+CH3COO]-	340.166651	177.9
[M+Na-2H]-	302.127466	169.8
[M]+	281.15225142	168.8
[M]-	281.15334858	168.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.