CID 25313160

5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)-1h-pyrazole-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C13H14FN5
SMILES
C1=CC(=CC=C1N2C(=C(C(=N2)CCCN)C#N)N)F
InChI
InChI=1S/C13H14FN5/c14-9-3-5-10(6-4-9)19-13(17)11(8-16)12(18-19)2-1-7-15/h3-6H,1-2,7,15,17H2
InChIKey
ZXTHBEQLPNRWEF-UHFFFAOYSA-N
Compound name
5-amino-3-(3-aminopropyl)-1-(4-fluorophenyl)pyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13060 157.5
[M+Na]+ 282.11254 167.5
[M-H]- 258.11604 158.4
[M+NH4]+ 277.15714 170.7
[M+K]+ 298.08648 162.1
[M+H-H2O]+ 242.12058 141.1
[M+HCOO]- 304.12152 176.0
[M+CH3COO]- 318.13717 211.6
[M+Na-2H]- 280.09799 158.6
[M]+ 259.12277 149.7
[M]- 259.12387 149.7
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.