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 160.0
[M+Na]+ 279.15802 167.2
[M-H]- 255.16152 165.8
[M+NH4]+ 274.20262 175.9
[M+K]+ 295.13196 162.6
[M+H-H2O]+ 239.16606 150.2
[M+HCOO]- 301.16700 180.7
[M+CH3COO]- 315.18265 171.3
[M+Na-2H]- 277.14347 159.8
[M]+ 256.16825 156.9
[M]- 256.16935 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.