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]+ 315.206706 179.3
[M+Na]+ 337.188648 184.2
[M-H]- 313.192154 181.4
[M+NH4]+ 332.233253 194.4
[M+K]+ 353.162588 179.4
[M+H-H2O]+ 297.196690 170.5
[M+HCOO]- 359.197631 193.6
[M+CH3COO]- 373.213281 207.8
[M+Na-2H]- 335.174096 178.5
[M]+ 314.19888142 178.6
[M]- 314.19997858 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.