CID 6436936

1794-41-8

Structural Information

Molecular Formula
C24H28N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4
InChI
InChI=1S/C24H28N2O/c1-2-24(27)26-22-13-14-23(26)18-25(17-22)16-21(20-11-7-4-8-12-20)15-19-9-5-3-6-10-19/h3-12,15,22-23H,2,13-14,16-18H2,1H3/b21-15-
InChIKey
REXWOFSLUVLBDP-QNGOZBTKSA-N
Compound name
1-[3-[(E)-2,3-diphenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.227426 191.7
[M+Na]+ 383.209368 194.4
[M-H]- 359.212874 196.3
[M+NH4]+ 378.253973 203.9
[M+K]+ 399.183308 187.7
[M+H-H2O]+ 343.217410 181.0
[M+HCOO]- 405.218351 204.4
[M+CH3COO]- 419.234001 199.0
[M+Na-2H]- 381.194816 189.8
[M]+ 360.21960142 187.5
[M]- 360.22069858 187.5
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

No patent data available for this compound.