CID 23653517

Scf

Structural Information

Molecular Formula
C18H15FN5
SMILES
C1=CC=C(C(=C1)C2=CC(=[N+]3C(=N2)C=CN3)NCC4=CC=NC=C4)F
InChI
InChI=1S/C18H14FN5/c19-15-4-2-1-3-14(15)16-11-18(24-17(23-16)7-10-22-24)21-12-13-5-8-20-9-6-13/h1-11H,12H2,(H,21,22,23)/p+1
InChIKey
YFRIPTQSWHZXIH-UHFFFAOYSA-O
Compound name
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-8-ium-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.13113 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13841 173.8
[M+Na]+ 343.12035 183.4
[M-H]- 319.12385 177.7
[M+NH4]+ 338.16495 183.8
[M+K]+ 359.09429 169.1
[M+H-H2O]+ 303.12839 164.1
[M+HCOO]- 365.12933 192.6
[M+CH3COO]- 379.14498 183.4
[M+Na-2H]- 341.10580 183.3
[M]+ 320.13058 171.2
[M]- 320.13168 171.2
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.