CID 446476

(2-amino-3-phenyl-bicyclo[2.2.1]hept-2-yl)-phenyl-methanone

Structural Information

Molecular Formula
C20H21NO
SMILES
C1C[C@@H]2C[C@H]1[C@H]([C@]2(C(=O)C3=CC=CC=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C20H21NO/c21-20(19(22)15-9-5-2-6-10-15)17-12-11-16(13-17)18(20)14-7-3-1-4-8-14/h1-10,16-18H,11-13,21H2/t16-,17+,18+,20+/m0/s1
InChIKey
XJQDTOANLAPEIM-JRBPQWBISA-N
Compound name
[(1R,2R,3S,4S)-2-amino-3-phenyl-2-bicyclo[2.2.1]heptanyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 170.6
[M+Na]+ 314.15154 176.5
[M-H]- 290.15504 179.3
[M+NH4]+ 309.19614 192.1
[M+K]+ 330.12548 170.7
[M+H-H2O]+ 274.15958 163.7
[M+HCOO]- 336.16052 191.1
[M+CH3COO]- 350.17617 181.8
[M+Na-2H]- 312.13699 171.2
[M]+ 291.16177 166.8
[M]- 291.16287 166.8
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.