CID 58312677

1073263-80-5

Structural Information

Molecular Formula
C17H19FN2
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H19FN2/c18-15-8-6-14(7-9-15)16-11-20(12-17(16)19)10-13-4-2-1-3-5-13/h1-9,16-17H,10-12,19H2/t16-,17+/m0/s1
InChIKey
XWQQHNDVAHVAEZ-DLBZAZTESA-N
Compound name
(3S,4R)-1-benzyl-4-(4-fluorophenyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.15323 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16051 162.5
[M+Na]+ 293.14245 169.1
[M-H]- 269.14595 168.9
[M+NH4]+ 288.18705 178.5
[M+K]+ 309.11639 163.1
[M+H-H2O]+ 253.15049 152.7
[M+HCOO]- 315.15143 183.2
[M+CH3COO]- 329.16708 173.5
[M+Na-2H]- 291.12790 163.4
[M]+ 270.15268 157.0
[M]- 270.15378 157.0
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