CID 3078980

Brn 4474194

Structural Information

Molecular Formula
C15H12N4
SMILES
C1=CC=C(C=C1)N2C3=C(C=C(C4=CC=CN43)N)C=N2
InChI
InChI=1S/C15H12N4/c16-13-9-11-10-17-19(12-5-2-1-3-6-12)15(11)18-8-4-7-14(13)18/h1-10H,16H2
InChIKey
IMTABAGGRBLXCK-UHFFFAOYSA-N
Compound name
1-phenylpyrazolo[3,4-e]indolizin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1062 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 153.1
[M+Na]+ 271.09542 169.5
[M+NH4]+ 266.14002 162.5
[M+K]+ 287.06936 165.0
[M-H]- 247.09892 157.9
[M+Na-2H]- 269.08087 162.6
[M]+ 248.10565 157.0
[M]- 248.10675 157.0
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.