CID 214452

33167-83-8

Structural Information

Molecular Formula

C₁₆H₁₁Cl₂N₃O

SMILES

CC1=C(C(=C2C(=C1Cl)N=C3N2C(=O)C4=CC=CC=C4N3)Cl)C

InChI

InChI=1S/C16H11Cl2N3O/c1-7-8(2)12(18)14-13(11(7)17)20-16-19-10-6-4-3-5-9(10)15(22)21(14)16/h3-6H,1-2H3,(H,19,20)

InChIKey

PMKZHZKBICAWCF-UHFFFAOYSA-N

Compound name

7,10-dichloro-8,9-dimethyl-5H-benzimidazolo[2,1-b]quinazolin-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 331.02792 Da
Monoisotopic Mass: 4.9
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]+	332.035196	173.3
[M+Na]+	354.017138	190.6
[M-H]-	330.020644	175.7
[M+NH4]+	349.061743	190.0
[M+K]+	369.991078	181.1
[M+H-H2O]+	314.025180	165.9
[M+HCOO]-	376.026121	183.1
[M+CH3COO]-	390.041771	185.5
[M+Na-2H]-	352.002586	178.4
[M]+	331.02737142	181.7
[M]-	331.02846858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe