CID 453294

133626-84-3

Structural Information

Molecular Formula
C15H13Cl2N3O
SMILES
CCN1C2=CC(=C(C=C2N(C(=O)C3=C1N=CC=C3)C)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O/c1-3-20-13-8-11(17)10(16)7-12(13)19(2)15(21)9-5-4-6-18-14(9)20/h4-8H,3H2,1-2H3
InChIKey
SJNMBQBKAJVHAR-UHFFFAOYSA-N
Compound name
8,9-dichloro-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.04358 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.05086 167.6
[M+Na]+ 344.03280 181.4
[M-H]- 320.03630 170.0
[M+NH4]+ 339.07740 181.9
[M+K]+ 360.00674 178.5
[M+H-H2O]+ 304.04084 158.8
[M+HCOO]- 366.04178 175.4
[M+CH3COO]- 380.05743 178.7
[M+Na-2H]- 342.01825 172.2
[M]+ 321.04303 170.0
[M]- 321.04413 170.0
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.