CID 3059904

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

Structural Information

Molecular Formula
C24H16N2O3
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=CC=CC=C4N3C(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H16N2O3/c1-15-11-12-21-17(13-15)22(27)18-14-25-19-9-5-6-10-20(19)26(24(18)29-21)23(28)16-7-3-2-4-8-16/h2-14H,1H3
InChIKey
WXAWQGKZIODJSW-UHFFFAOYSA-N
Compound name
6-benzoyl-2-methylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1161 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12338 193.8
[M+Na]+ 403.10532 210.6
[M+NH4]+ 398.14992 201.3
[M+K]+ 419.07926 202.5
[M-H]- 379.10882 200.1
[M+Na-2H]- 401.09077 201.1
[M]+ 380.11555 198.4
[M]- 380.11665 198.4
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.