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]+ 324.134256 176.6
[M+Na]+ 346.116198 185.4
[M-H]- 322.119704 181.6
[M+NH4]+ 341.160803 192.2
[M+K]+ 362.090138 180.3
[M+H-H2O]+ 306.124240 168.1
[M+HCOO]- 368.125181 192.4
[M+CH3COO]- 382.140831 187.0
[M+Na-2H]- 344.101646 174.8
[M]+ 323.12643142 176.9
[M]- 323.12752858 176.9
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.