CID 3502811

8-benzoyl-10-phenyl-11a,11b-dihydro-8h-pyrrolo(3',4':3,4)pyrrolo(2,1-a)phthalazine-9,11(8ah,10h)-dione

Structural Information

Molecular Formula
C26H19N3O3
SMILES
C1=CC=C(C=C1)C(=O)C2C3C(C4N2N=CC5=CC=CC=C45)C(=O)N(C3=O)C6=CC=CC=C6
InChI
InChI=1S/C26H19N3O3/c30-24(16-9-3-1-4-10-16)23-21-20(22-19-14-8-7-11-17(19)15-27-29(22)23)25(31)28(26(21)32)18-12-5-2-6-13-18/h1-15,20-23H
InChIKey
XNLQKYRVCMBHDH-UHFFFAOYSA-N
Compound name
11-benzoyl-14-phenyl-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-13,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.14264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.14992 201.7
[M+Na]+ 444.13186 209.6
[M-H]- 420.13536 210.5
[M+NH4]+ 439.17646 213.1
[M+K]+ 460.10580 202.0
[M+H-H2O]+ 404.13990 190.6
[M+HCOO]- 466.14084 215.1
[M+CH3COO]- 480.15649 210.0
[M+Na-2H]- 442.11731 199.1
[M]+ 421.14209 200.7
[M]- 421.14319 200.7
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.