CID 132316042

2126160-98-1

Structural Information

Molecular Formula
C13H11N3O3
SMILES
C1C2=C(C=NN2C3=CC=CC=C3)C(=O)N1CC(=O)O
InChI
InChI=1S/C13H11N3O3/c17-12(18)8-15-7-11-10(13(15)19)6-14-16(11)9-4-2-1-3-5-9/h1-6H,7-8H2,(H,17,18)
InChIKey
FACPZBSRZKWPOR-UHFFFAOYSA-N
Compound name
2-(4-oxo-1-phenyl-6H-pyrrolo[3,4-c]pyrazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 157.0
[M+Na]+ 280.06927 168.2
[M+NH4]+ 275.11387 163.1
[M+K]+ 296.04321 167.2
[M-H]- 256.07277 157.2
[M+Na-2H]- 278.05472 161.2
[M]+ 257.07950 158.3
[M]- 257.08060 158.3
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.