CID 134376

83913-04-6

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CN1C2=CC=CC=C2N(C1=O)CC3CNCCO3

InChI

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

InChIKey

BIIVCNBUYOAYOC-UHFFFAOYSA-N

Compound name

1-methyl-3-(morpholin-2-ylmethyl)benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 247.13208 Da
Monoisotopic Mass: 0.2
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]+	248.139356	155.6
[M+Na]+	270.121298	164.7
[M-H]-	246.124804	158.7
[M+NH4]+	265.165903	169.8
[M+K]+	286.095238	160.8
[M+H-H2O]+	230.129340	146.8
[M+HCOO]-	292.130281	172.1
[M+CH3COO]-	306.145931	167.0
[M+Na-2H]-	268.106746	160.0
[M]+	247.13153142	154.7
[M]-	247.13262858	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe