CID 3086933

Brn 4503349

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=CC4=CC=CN43)C(=O)O
InChI
InChI=1S/C16H11N3O2/c20-16(21)13-9-12-7-4-8-18(12)15-14(13)10-17-19(15)11-5-2-1-3-6-11/h1-10H,(H,20,21)
InChIKey
BGMRZXVUVJLZDO-UHFFFAOYSA-N
Compound name
1-phenylpyrazolo[5,4-e]indolizine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.092376 160.7
[M+Na]+ 300.074318 172.9
[M-H]- 276.077824 166.1
[M+NH4]+ 295.118923 177.7
[M+K]+ 316.048258 167.2
[M+H-H2O]+ 260.082360 152.4
[M+HCOO]- 322.083301 182.4
[M+CH3COO]- 336.098951 173.6
[M+Na-2H]- 298.059766 165.8
[M]+ 277.08455142 165.0
[M]- 277.08564858 165.0
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.

Patent stripe

No patent data available for this compound.