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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03520 173.3
[M+Na]+ 354.01714 190.6
[M-H]- 330.02064 175.7
[M+NH4]+ 349.06174 190.0
[M+K]+ 369.99108 181.1
[M+H-H2O]+ 314.02518 165.9
[M+HCOO]- 376.02612 183.1
[M+CH3COO]- 390.04177 185.5
[M+Na-2H]- 352.00259 178.4
[M]+ 331.02737 181.7
[M]- 331.02847 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe