CID 135556070

27285-86-5

Structural Information

Molecular Formula

C₁₀H₁₁N₃

SMILES

C1CNC2=NC3=CC=CC=C3N2C1

InChI

InChI=1S/C10H11N3/c1-2-5-9-8(4-1)12-10-11-6-3-7-13(9)10/h1-2,4-5H,3,6-7H2,(H,11,12)

InChIKey

VXWZPLQTNYSOCY-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 44
Patents: 173.09529 Da
Monoisotopic Mass: 1.8
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]+	174.10257	135.0
[M+Na]+	196.08451	144.4
[M-H]-	172.08801	135.0
[M+NH4]+	191.12911	154.5
[M+K]+	212.05845	139.6
[M+H-H2O]+	156.09255	127.0
[M+HCOO]-	218.09349	152.9
[M+CH3COO]-	232.10914	147.4
[M+Na-2H]-	194.06996	143.7
[M]+	173.09474	132.3
[M]-	173.09584	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe