CID 751089

N-(1h-1,3-benzodiazol-2-ylmethyl)butanamide

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CCCC(=O)NCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C12H15N3O/c1-2-5-12(16)13-8-11-14-9-6-3-4-7-10(9)15-11/h3-4,6-7H,2,5,8H2,1H3,(H,13,16)(H,14,15)

InChIKey

MXDONONSXPZRMO-UHFFFAOYSA-N

Compound name

N-(1H-benzimidazol-2-ylmethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.1215 Da
Monoisotopic Mass: 1.5
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]+	218.12878	148.6
[M+Na]+	240.11072	160.1
[M+NH4]+	235.15532	155.8
[M+K]+	256.08466	155.5
[M-H]-	216.11422	149.4
[M+Na-2H]-	238.09617	154.0
[M]+	217.12095	150.2
[M]-	217.12205	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe