CID 156312372

2641398-04-9

Structural Information

Molecular Formula

C₁₆H₁₉N₃O

SMILES

CCC1=C(NC2=NC3=C(N2C1=O)C=C(C=C3)C)C(C)C

InChI

InChI=1S/C16H19N3O/c1-5-11-14(9(2)3)18-16-17-12-7-6-10(4)8-13(12)19(16)15(11)20/h6-9H,5H2,1-4H3,(H,17,18)

InChIKey

GEBQJASGYKVDHG-UHFFFAOYSA-N

Compound name

3-ethyl-7-methyl-2-propan-2-yl-1H-pyrimido[1,2-a]benzimidazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 269.1528 Da
Monoisotopic Mass: 3.8
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]+	270.160076	164.8
[M+Na]+	292.142018	177.1
[M-H]-	268.145524	166.3
[M+NH4]+	287.186623	181.5
[M+K]+	308.115958	170.9
[M+H-H2O]+	252.150060	157.1
[M+HCOO]-	314.151001	182.7
[M+CH3COO]-	328.166651	176.8
[M+Na-2H]-	290.127466	168.2
[M]+	269.15225142	168.7
[M]-	269.15334858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe