CID 3072419

(s)-1-phenyl-n-(2-phenylethyl)-2-pyrrolidinemethanamine fumarate

Structural Information

Molecular Formula
C19H24N2
SMILES
C1C[C@H](N(C1)C2=CC=CC=C2)CNCCC3=CC=CC=C3
InChI
InChI=1S/C19H24N2/c1-3-8-17(9-4-1)13-14-20-16-19-12-7-15-21(19)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2/t19-/m0/s1
InChIKey
DMGGXWHSHKTGCJ-IBGZPJMESA-N
Compound name
2-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 167.3
[M+Na]+ 303.18316 170.9
[M-H]- 279.18666 174.4
[M+NH4]+ 298.22776 182.5
[M+K]+ 319.15710 165.4
[M+H-H2O]+ 263.19120 157.5
[M+HCOO]- 325.19214 189.0
[M+CH3COO]- 339.20779 177.5
[M+Na-2H]- 301.16861 170.2
[M]+ 280.19339 163.5
[M]- 280.19449 163.5
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

patents stripe