CID 32043

Brn 4850608

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC1=NC2=C(O1)CCC3=CC=CC=C3C2=C4CCN(CC4)C
InChI
InChI=1S/C19H22N2O/c1-13-20-19-17(22-13)8-7-14-5-3-4-6-16(14)18(19)15-9-11-21(2)12-10-15/h3-6H,7-12H2,1-2H3
InChIKey
QCEHDADBIVGNDY-UHFFFAOYSA-N
Compound name
5-methyl-2-(1-methylpiperidin-4-ylidene)-6-oxa-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 174.5
[M+Na]+ 317.16244 186.3
[M+NH4]+ 312.20704 182.7
[M+K]+ 333.13638 181.2
[M-H]- 293.16594 179.4
[M+Na-2H]- 315.14789 178.5
[M]+ 294.17267 177.6
[M]- 294.17377 177.6
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

patents stripe