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[5,4-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]+ 249.113476 153.0
[M+Na]+ 271.095418 165.9
[M-H]- 247.098924 159.3
[M+NH4]+ 266.140023 171.8
[M+K]+ 287.069358 159.5
[M+H-H2O]+ 231.103460 144.4
[M+HCOO]- 293.104401 177.6
[M+CH3COO]- 307.120051 166.7
[M+Na-2H]- 269.080866 160.0
[M]+ 248.10565142 155.9
[M]- 248.10674858 155.9
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.