CID 3087658

(1)benzopyrano(2,3-b)(1,5)benzodiazepin-13(6h)-one, 6-benzoyl-2-methyl-9-nitro-

Structural Information

Molecular Formula
C24H15N3O5
SMILES
CC1=CC2=C(C=C1)OC3=C(C2=O)C=NC4=C(N3C(=O)C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H15N3O5/c1-14-7-10-21-17(11-14)22(28)18-13-25-19-12-16(27(30)31)8-9-20(19)26(24(18)32-21)23(29)15-5-3-2-4-6-15/h2-13H,1H3
InChIKey
BIWKZDQCGVFWOW-UHFFFAOYSA-N
Compound name
6-benzoyl-2-methyl-9-nitrochromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.10117 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10845 203.3
[M+Na]+ 448.09039 211.2
[M-H]- 424.09389 212.6
[M+NH4]+ 443.13499 210.4
[M+K]+ 464.06433 207.7
[M+H-H2O]+ 408.09843 197.2
[M+HCOO]- 470.09937 219.4
[M+CH3COO]- 484.11502 224.0
[M+Na-2H]- 446.07584 211.1
[M]+ 425.10062 203.0
[M]- 425.10172 203.0
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.