CID 9578477

Brn 4735335

Structural Information

Molecular Formula
C21H31N3O4
SMILES
COC1=C(C=C2C3C/C(=N\OCCN4CCOCC4)/CCN3CCC2=C1)OC
InChI
InChI=1S/C21H31N3O4/c1-25-20-13-16-3-5-24-6-4-17(14-19(24)18(16)15-21(20)26-2)22-28-12-9-23-7-10-27-11-8-23/h13,15,19H,3-12,14H2,1-2H3/b22-17-
InChIKey
QASOQDMIGAHDNO-XLNRJJMWSA-N
Compound name
(Z)-9,10-dimethoxy-N-(2-morpholin-4-ylethoxy)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.23145 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.23873 193.8
[M+Na]+ 412.22067 195.8
[M-H]- 388.22417 198.5
[M+NH4]+ 407.26527 202.6
[M+K]+ 428.19461 193.6
[M+H-H2O]+ 372.22871 181.6
[M+HCOO]- 434.22965 204.6
[M+CH3COO]- 448.24530 225.6
[M+Na-2H]- 410.20612 195.9
[M]+ 389.23090 191.5
[M]- 389.23200 191.5
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.