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 159.6
[M+Na]+ 301.07142 170.4
[M-H]- 277.07492 163.3
[M+NH4]+ 296.11602 177.4
[M+K]+ 317.04536 168.2
[M+H-H2O]+ 261.07946 152.7
[M+HCOO]- 323.08040 170.9
[M+CH3COO]- 337.09605 171.1
[M+Na-2H]- 299.05687 164.1
[M]+ 278.08165 159.1
[M]- 278.08275 159.1
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.