CID 25585030

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

Structural Information

Molecular Formula
C13H15N5
SMILES
C1=CC=C(C=C1)N2C(=C(C(=N2)CCCN)C#N)N
InChI
InChI=1S/C13H15N5/c14-8-4-7-12-11(9-15)13(16)18(17-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-8,14,16H2
InChIKey
FTLDBWAOXGZCRB-UHFFFAOYSA-N
Compound name
5-amino-3-(3-aminopropyl)-1-phenylpyrazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13275 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14003 156.5
[M+Na]+ 264.12197 165.8
[M-H]- 240.12547 158.4
[M+NH4]+ 259.16657 170.2
[M+K]+ 280.09591 160.6
[M+H-H2O]+ 224.13001 140.7
[M+HCOO]- 286.13095 175.9
[M+CH3COO]- 300.14660 208.1
[M+Na-2H]- 262.10742 158.7
[M]+ 241.13220 149.3
[M]- 241.13330 149.3
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.