CID 3751100

8-benzoyl-6-phenyl-7a,8-dihydro-4ah-pyrrolo(3',4':3,4)pyrrolo(1,2-b)pyridazine-5,7(4bh,6h)-dione

Structural Information

Molecular Formula
C22H17N3O3
SMILES
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5
InChI
InChI=1S/C22H17N3O3/c26-20(14-8-3-1-4-9-14)19-18-17(16-12-7-13-23-25(16)19)21(27)24(22(18)28)15-10-5-2-6-11-15/h1-13,16-19H
InChIKey
VKJFSKWYIOSLST-UHFFFAOYSA-N
Compound name
7-benzoyl-4-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13426 187.8
[M+Na]+ 394.11620 201.6
[M+NH4]+ 389.16080 194.9
[M+K]+ 410.09014 198.0
[M-H]- 370.11970 192.0
[M+Na-2H]- 392.10165 193.4
[M]+ 371.12643 190.8
[M]- 371.12753 190.8
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.