CID 3051109

Brn 0796273

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

CCC1=CN=C(C=C1)C2=NC3=C(N2)C=C(C=C3)OC

InChI

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

InChIKey

SCXTXIYKMCAGRG-UHFFFAOYSA-N

Compound name

2-(5-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]+	254.128776	157.9
[M+Na]+	276.110718	168.8
[M-H]-	252.114224	161.2
[M+NH4]+	271.155323	173.4
[M+K]+	292.084658	162.9
[M+H-H2O]+	236.118760	148.8
[M+HCOO]-	298.119701	178.6
[M+CH3COO]-	312.135351	170.1
[M+Na-2H]-	274.096166	163.9
[M]+	253.12095142	160.5
[M]-	253.12204858	160.5

Literature stripe

literature stripe

Patent stripe

patents stripe