CID 3059907

2-chloro-6-(phenylmethyl)-(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one

Structural Information

Molecular Formula
C23H15ClN2O2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=CC4=C2OC5=C(C4=O)C=C(C=C5)Cl
InChI
InChI=1S/C23H15ClN2O2/c24-16-10-11-21-17(12-16)22(27)18-13-25-19-8-4-5-9-20(19)26(23(18)28-21)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey
PZBLSPJHEAVEAB-UHFFFAOYSA-N
Compound name
6-benzyl-2-chlorochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.0822 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.08948 194.2
[M+Na]+ 409.07142 212.8
[M+NH4]+ 404.11602 203.0
[M+K]+ 425.04536 202.8
[M-H]- 385.07492 201.4
[M+Na-2H]- 407.05687 202.5
[M]+ 386.08165 199.7
[M]- 386.08275 199.7
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.