CID 6438284

1742-26-3

Structural Information

Molecular Formula
C19H26N2O2
SMILES
CCC(=O)N1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3OC
InChI
InChI=1S/C19H26N2O2/c1-3-19(22)21-16-10-11-17(21)14-20(13-16)12-6-8-15-7-4-5-9-18(15)23-2/h4-9,16-17H,3,10-14H2,1-2H3/b8-6+
InChIKey
MSWMQKFIRYVCLY-SOFGYWHQSA-N
Compound name
1-[3-[(E)-3-(2-methoxyphenyl)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

314.19943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.20671 179.3
[M+Na]+ 337.18865 184.2
[M-H]- 313.19215 181.4
[M+NH4]+ 332.23325 194.4
[M+K]+ 353.16259 179.4
[M+H-H2O]+ 297.19669 170.5
[M+HCOO]- 359.19763 193.6
[M+CH3COO]- 373.21328 207.8
[M+Na-2H]- 335.17410 178.5
[M]+ 314.19888 178.6
[M]- 314.19998 178.6
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.