CID 3059411

Brn 4503899

Structural Information

Molecular Formula
C16H9ClN2O2
SMILES
C1=CC=C2C(=C1)NC3=C(C=N2)C(=O)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C16H9ClN2O2/c17-9-5-6-14-10(7-9)15(20)11-8-18-12-3-1-2-4-13(12)19-16(11)21-14/h1-8,19H
InChIKey
GCQIRDLVXCODEJ-UHFFFAOYSA-N
Compound name
2-chloro-6H-chromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.03525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04253 164.4
[M+Na]+ 319.02447 180.9
[M+NH4]+ 314.06907 173.0
[M+K]+ 334.99841 173.3
[M-H]- 295.02797 168.7
[M+Na-2H]- 317.00992 171.0
[M]+ 296.03470 168.6
[M]- 296.03580 168.6
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.