CID 76971091

1328893-14-6

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
CC1=CC(=CC2=C1N=C3C(=CC=CN3C2=O)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2O/c1-7-5-8(14)6-9-11(7)16-12-10(15)3-2-4-17(12)13(9)18/h2-6H,1H3
InChIKey
HWZYDXZSGZCNEA-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-methylpyrido[2,1-b]quinazolin-11-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

0
Patents

278.00137 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.008646 154.5
[M+Na]+ 300.990588 169.8
[M-H]- 276.994094 157.7
[M+NH4]+ 296.035193 172.2
[M+K]+ 316.964528 162.3
[M+H-H2O]+ 260.998630 147.6
[M+HCOO]- 322.999571 166.5
[M+CH3COO]- 337.015221 167.8
[M+Na-2H]- 298.976036 162.8
[M]+ 278.00082142 161.5
[M]- 278.00191858 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.