CID 356969

Nsc614524

Structural Information

Molecular Formula
C16H10N4
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=CC4=CC=CN43)C#N
InChI
InChI=1S/C16H10N4/c17-10-12-9-14-7-4-8-19(14)16-15(12)11-18-20(16)13-5-2-1-3-6-13/h1-9,11H
InChIKey
NORWXGGXLSLMGY-UHFFFAOYSA-N
Compound name
1-phenylpyrazolo[3,4-e]indolizine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.09055 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09783 161.2
[M+Na]+ 281.07977 176.0
[M-H]- 257.08327 164.6
[M+NH4]+ 276.12437 177.2
[M+K]+ 297.05371 166.2
[M+H-H2O]+ 241.08781 145.0
[M+HCOO]- 303.08875 180.4
[M+CH3COO]- 317.10440 172.4
[M+Na-2H]- 279.06522 166.2
[M]+ 258.09000 159.5
[M]- 258.09110 159.5
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.