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

7
Patents

294.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.180496 170.8
[M+Na]+ 317.162438 177.4
[M-H]- 293.165944 177.9
[M+NH4]+ 312.207043 185.3
[M+K]+ 333.136378 175.4
[M+H-H2O]+ 277.170480 162.6
[M+HCOO]- 339.171421 184.7
[M+CH3COO]- 353.187071 180.8
[M+Na-2H]- 315.147886 172.2
[M]+ 294.17267142 165.1
[M]- 294.17376858 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