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 192.2
[M+Na]+ 409.07142 204.6
[M-H]- 385.07492 200.8
[M+NH4]+ 404.11602 203.4
[M+K]+ 425.04536 201.4
[M+H-H2O]+ 369.07946 182.5
[M+HCOO]- 431.08040 204.8
[M+CH3COO]- 445.09605 202.5
[M+Na-2H]- 407.05687 199.6
[M]+ 386.08165 194.9
[M]- 386.08275 194.9
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.