CID 3051110

Brn 0800750

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCC1=NC(=CC=C1)C2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C15H15N3O/c1-3-10-5-4-6-13(16-10)15-17-12-8-7-11(19-2)9-14(12)18-15/h4-9H,3H2,1-2H3,(H,17,18)

InChIKey

PRGRJJGQZUEYDY-UHFFFAOYSA-N

Compound name

2-(6-ethyl-2-pyridinyl)-6-methoxy-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 253.1215 Da
Monoisotopic Mass: 2.9
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]+	254.12878	157.9
[M+Na]+	276.11072	168.8
[M-H]-	252.11422	161.2
[M+NH4]+	271.15532	173.4
[M+K]+	292.08466	162.9
[M+H-H2O]+	236.11876	148.8
[M+HCOO]-	298.11970	178.6
[M+CH3COO]-	312.13535	170.1
[M+Na-2H]-	274.09617	163.9
[M]+	253.12095	160.5
[M]-	253.12205	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe