CID 9947991

Fk-584

Structural Information

Molecular Formula
C21H25N
SMILES
CC(C)(C)N[C@H]1CC(C=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N/c1-20(2,3)22-19-14-15-21(16-19,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-15,19,22H,16H2,1-3H3/t19-/m1/s1
InChIKey
QMTVTICJRCJOFZ-LJQANCHMSA-N
Compound name
(1S)-N-tert-butyl-4,4-diphenylcyclopent-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

291.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 172.0
[M+Na]+ 314.187918 177.5
[M-H]- 290.191424 181.5
[M+NH4]+ 309.232523 190.6
[M+K]+ 330.161858 172.2
[M+H-H2O]+ 274.195960 164.2
[M+HCOO]- 336.196901 194.3
[M+CH3COO]- 350.212551 204.3
[M+Na-2H]- 312.173366 176.6
[M]+ 291.19815142 169.7
[M]- 291.19924858 169.7
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.