CID 3055960

9-chloro-1,2,3,4-tetrahydropyrrolo(1,2,3-ef)(1,5)benzodiazepin-6(7h)-one

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C1CNC2=CC(=CC3=C2N(C1)C(=O)C3)Cl
InChI
InChI=1S/C11H11ClN2O/c12-8-4-7-5-10(15)14-3-1-2-13-9(6-8)11(7)14/h4,6,13H,1-3,5H2
InChIKey
BWIXNZWYPMSUBZ-UHFFFAOYSA-N
Compound name
6-chloro-1,9-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.05598 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 141.4
[M+Na]+ 245.04520 152.4
[M+NH4]+ 240.08980 149.9
[M+K]+ 261.01914 148.7
[M-H]- 221.04870 142.0
[M+Na-2H]- 243.03065 145.0
[M]+ 222.05543 143.3
[M]- 222.05653 143.3
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.