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]+ 292.169596 170.6
[M+Na]+ 314.151538 176.5
[M-H]- 290.155044 179.3
[M+NH4]+ 309.196143 192.1
[M+K]+ 330.125478 170.7
[M+H-H2O]+ 274.159580 163.7
[M+HCOO]- 336.160521 191.1
[M+CH3COO]- 350.176171 181.8
[M+Na-2H]- 312.136986 171.2
[M]+ 291.16177142 166.8
[M]- 291.16286858 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.