CID 391337

Nsc690367

Structural Information

Molecular Formula

C₁₄H₁₃N₃

SMILES

C1CCC2=NC3=NC4=CC=CC=C4N3C=C2C1

InChI

InChI=1S/C14H13N3/c1-2-6-11-10(5-1)9-17-13-8-4-3-7-12(13)16-14(17)15-11/h3-4,7-9H,1-2,5-6H2

InChIKey

FXDBMZOZZXUUTJ-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydrobenzimidazolo[2,1-b]quinazoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.11095 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]+	224.11823	148.2
[M+Na]+	246.10017	158.4
[M-H]-	222.10367	150.5
[M+NH4]+	241.14477	167.2
[M+K]+	262.07411	152.5
[M+H-H2O]+	206.10821	139.0
[M+HCOO]-	268.10915	165.8
[M+CH3COO]-	282.12480	160.3
[M+Na-2H]-	244.08562	157.0
[M]+	223.11040	147.6
[M]-	223.11150	147.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.