CID 314123

Nsc-230804

Structural Information

Molecular Formula
C15H11N3
SMILES
C1C2=CC=CC=C2C3=C1C(=NN3)C4=CC=NC=C4
InChI
InChI=1S/C15H11N3/c1-2-4-12-11(3-1)9-13-14(17-18-15(12)13)10-5-7-16-8-6-10/h1-8H,9H2,(H,17,18)
InChIKey
NHOACLCXCKJMAK-UHFFFAOYSA-N
Compound name
3-pyridin-4-yl-1,4-dihydroindeno[2,1-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

35
Patents

233.09529 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10257 151.0
[M+Na]+ 256.08451 161.4
[M-H]- 232.08801 155.2
[M+NH4]+ 251.12911 169.7
[M+K]+ 272.05845 155.0
[M+H-H2O]+ 216.09255 142.5
[M+HCOO]- 278.09349 170.9
[M+CH3COO]- 292.10914 163.4
[M+Na-2H]- 254.06996 156.4
[M]+ 233.09474 150.3
[M]- 233.09584 150.3
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.