CID 3053387

69844-17-3

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CN(C)CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4
InChI
InChI=1S/C19H22N2O3/c1-20(2)9-10-24-15-7-5-14(6-8-15)21-18(22)16-12-3-4-13(11-12)17(16)19(21)23/h3-8,12-13,16-17H,9-11H2,1-2H3
InChIKey
JLFQFIITTJBCPA-UHFFFAOYSA-N
Compound name
4-[4-[2-(dimethylamino)ethoxy]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 178.0
[M+Na]+ 349.15228 185.6
[M-H]- 325.15578 185.8
[M+NH4]+ 344.19688 199.2
[M+K]+ 365.12622 182.4
[M+H-H2O]+ 309.16032 172.3
[M+HCOO]- 371.16126 199.0
[M+CH3COO]- 385.17691 216.1
[M+Na-2H]- 347.13773 175.8
[M]+ 326.16251 182.3
[M]- 326.16361 182.3
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.