CID 3086798

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

Structural Information

Molecular Formula
C23H14N2O3
SMILES
C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=CC4=C2OC5=CC=CC=C5C4=O
InChI
InChI=1S/C23H14N2O3/c26-21-16-10-4-7-13-20(16)28-23-17(21)14-24-18-11-5-6-12-19(18)25(23)22(27)15-8-2-1-3-9-15/h1-14H
InChIKey
IVKZRTQGAILYNN-UHFFFAOYSA-N
Compound name
6-benzoylchromeno[2,3-b][1,5]benzodiazepin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.10043 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.10771 187.3
[M+Na]+ 389.08965 197.2
[M-H]- 365.09315 196.3
[M+NH4]+ 384.13425 197.8
[M+K]+ 405.06359 195.8
[M+H-H2O]+ 349.09769 178.1
[M+HCOO]- 411.09863 203.5
[M+CH3COO]- 425.11428 197.4
[M+Na-2H]- 387.07510 195.1
[M]+ 366.09988 187.5
[M]- 366.10098 187.5
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.