CID 137964611

2227716-59-6

Structural Information

Molecular Formula
C15H20N4
SMILES
CN1C(=CC=N1)[C@@H]2CN(C[C@H]2N)CC3=CC=CC=C3
InChI
InChI=1S/C15H20N4/c1-18-15(7-8-17-18)13-10-19(11-14(13)16)9-12-5-3-2-4-6-12/h2-8,13-14H,9-11,16H2,1H3/t13-,14-/m1/s1
InChIKey
UEFTZSZOWHIMLW-ZIAGYGMSSA-N
Compound name
(3S,4R)-1-benzyl-4-(2-methylpyrazol-3-yl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 161.0
[M+Na]+ 279.15802 172.7
[M+NH4]+ 274.20262 168.8
[M+K]+ 295.13196 169.6
[M-H]- 255.16152 165.4
[M+Na-2H]- 277.14347 168.4
[M]+ 256.16825 163.7
[M]- 256.16935 163.7
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.