CID 3741938

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

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CCN1C(=O)C2C3C=CC=NN3C(C2C1=O)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C18H17N3O3/c1-2-20-17(23)13-12-9-6-10-19-21(12)15(14(13)18(20)24)16(22)11-7-4-3-5-8-11/h3-10,12-15H,2H2,1H3
InChIKey
ZCTIBFPHOJLONR-UHFFFAOYSA-N
Compound name
7-benzoyl-4-ethyl-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

323.12698 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13426 176.1
[M+Na]+ 346.11620 187.8
[M+NH4]+ 341.16080 182.7
[M+K]+ 362.09014 185.5
[M-H]- 322.11970 177.4
[M+Na-2H]- 344.10165 178.6
[M]+ 323.12643 177.8
[M]- 323.12753 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.