CID 13372532

101018-69-3

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC1=NC2=C(N1)C=CC(=C2CN3CCOCC3)O

InChI

InChI=1S/C13H17N3O2/c1-9-14-11-2-3-12(17)10(13(11)15-9)8-16-4-6-18-7-5-16/h2-3,17H,4-8H2,1H3,(H,14,15)

InChIKey

NASWQTZQJWQZLD-UHFFFAOYSA-N

Compound name

2-methyl-4-(morpholin-4-ylmethyl)-1H-benzimidazol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 247.13208 Da
Monoisotopic Mass: 1.0
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]+	248.13936	156.6
[M+Na]+	270.12130	169.7
[M+NH4]+	265.16590	163.8
[M+K]+	286.09524	165.7
[M-H]-	246.12480	159.5
[M+Na-2H]-	268.10675	161.4
[M]+	247.13153	159.1
[M]-	247.13263	159.1

Literature stripe

literature stripe

Patent stripe

patents stripe