CID 3059898

2,3,3a,5-tetrahydro-8-chloro-3a-ethyl-2-methyl-4h-furo(2,3-b)(1,5)benzodiazepin-4-one

Structural Information

Molecular Formula
C14H15ClN2O2
SMILES
CCC12CC(OC1=NC3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C14H15ClN2O2/c1-3-14-7-8(2)19-13(14)17-11-6-9(15)4-5-10(11)16-12(14)18/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKey
FVBVFFLQBWDTIQ-UHFFFAOYSA-N
Compound name
8-chloro-3a-ethyl-2-methyl-3,5-dihydro-2H-furo[3,2-c][1,5]benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0822 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.08948 158.1
[M+Na]+ 301.07142 169.7
[M+NH4]+ 296.11602 166.8
[M+K]+ 317.04536 164.5
[M-H]- 277.07492 160.0
[M+Na-2H]- 299.05687 162.3
[M]+ 278.08165 160.7
[M]- 278.08275 160.7
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

No patent data available for this compound.