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 170.8
[M+Na]+ 317.16244 177.4
[M-H]- 293.16594 177.9
[M+NH4]+ 312.20704 185.3
[M+K]+ 333.13638 175.4
[M+H-H2O]+ 277.17048 162.6
[M+HCOO]- 339.17142 184.7
[M+CH3COO]- 353.18707 180.8
[M+Na-2H]- 315.14789 172.2
[M]+ 294.17267 165.1
[M]- 294.17377 165.1
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