CID 6438282

1640-65-9

Structural Information

Molecular Formula
C19H26N2O
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=C(C=C3)C
InChI
InChI=1S/C19H26N2O/c1-3-19(22)21-17-10-11-18(21)14-20(13-17)12-4-5-16-8-6-15(2)7-9-16/h4-9,17-18H,3,10-14H2,1-2H3/b5-4+
InChIKey
ACVZDRAEFXHPNR-SNAWJCMRSA-N
Compound name
1-[3-[(E)-3-(4-methylphenyl)prop-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

298.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 176.4
[M+Na]+ 321.19372 181.5
[M-H]- 297.19722 178.5
[M+NH4]+ 316.23832 192.3
[M+K]+ 337.16766 176.1
[M+H-H2O]+ 281.20176 167.7
[M+HCOO]- 343.20270 190.5
[M+CH3COO]- 357.21835 205.7
[M+Na-2H]- 319.17917 175.5
[M]+ 298.20395 174.3
[M]- 298.20505 174.3
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.