CID 6444498

1507-83-1

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CCC(=O)N1C2CCC1CN(C2)C(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O2/c1-2-17(21)20-15-9-10-16(20)13-19(12-15)18(22)11-8-14-6-4-3-5-7-14/h3-8,11,15-16H,2,9-10,12-13H2,1H3/b11-8+
InChIKey
OIYONGLUJCXTFW-DHZHZOJOSA-N
Compound name
(E)-3-phenyl-1-(8-propanoyl-3,8-diazabicyclo[3.2.1]octan-3-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17540 173.1
[M+Na]+ 321.15734 183.2
[M+NH4]+ 316.20194 180.1
[M+K]+ 337.13128 178.3
[M-H]- 297.16084 173.9
[M+Na-2H]- 319.14279 175.3
[M]+ 298.16757 174.4
[M]- 298.16867 174.4
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.