CID 3059906

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

Structural Information

Molecular Formula
C23H13ClN2O3
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=CC4=C2OC5=C(C4=O)C=C(C=C5)Cl
InChI
InChI=1S/C23H13ClN2O3/c24-15-10-11-20-16(12-15)21(27)17-13-25-18-8-4-5-9-19(18)26(23(17)29-20)22(28)14-6-2-1-3-7-14/h1-13H
InChIKey
LROSGLHZMQKLNJ-UHFFFAOYSA-N
Compound name
6-benzoyl-2-chlorochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.06146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.06874 193.2
[M+Na]+ 423.05068 205.4
[M-H]- 399.05418 202.1
[M+NH4]+ 418.09528 203.7
[M+K]+ 439.02462 203.3
[M+H-H2O]+ 383.05872 183.8
[M+HCOO]- 445.05966 205.3
[M+CH3COO]- 459.07531 203.4
[M+Na-2H]- 421.03613 200.0
[M]+ 400.06091 196.2
[M]- 400.06201 196.2
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.