CID 3072309

Pyrrolo(3,4-c)pyrazole-5(1h)-acetic acid, 4,6-dihydro-4-oxo-1-phenyl-, ethyl ester

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCOC(=O)CN1CC2=C(C1=O)C=NN2C3=CC=CC=C3
InChI
InChI=1S/C15H15N3O3/c1-2-21-14(19)10-17-9-13-12(15(17)20)8-16-18(13)11-6-4-3-5-7-11/h3-8H,2,9-10H2,1H3
InChIKey
ZWNZUUSDRKTIRY-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-1-phenyl-6H-pyrrolo[3,4-c]pyrazol-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 165.5
[M+Na]+ 308.10055 176.9
[M+NH4]+ 303.14515 171.7
[M+K]+ 324.07449 175.1
[M-H]- 284.10405 166.2
[M+Na-2H]- 306.08600 169.8
[M]+ 285.11078 167.0
[M]- 285.11188 167.0
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.

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No patent data available for this compound.