CID 43150729

1-(1-benzylpyrrolidin-3-yl)-4-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H20N4
SMILES
CC1=C(N(N=C1)C2CCN(C2)CC3=CC=CC=C3)N
InChI
InChI=1S/C15H20N4/c1-12-9-17-19(15(12)16)14-7-8-18(11-14)10-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11,16H2,1H3
InChIKey
CBPDXTCPMALMFD-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.1688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.176076 160.0
[M+Na]+ 279.158018 167.2
[M-H]- 255.161524 165.8
[M+NH4]+ 274.202623 175.9
[M+K]+ 295.131958 162.6
[M+H-H2O]+ 239.166060 150.2
[M+HCOO]- 301.167001 180.7
[M+CH3COO]- 315.182651 171.3
[M+Na-2H]- 277.143466 159.8
[M]+ 256.16825142 156.9
[M]- 256.16934858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.