CID 2342

Benzquinamide

Structural Information

Molecular Formula
C22H32N2O5
SMILES
CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC
InChI
InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3
InChIKey
JSZILQVIPPROJI-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

4775
Patents

404.2311 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23838 196.4
[M+Na]+ 427.22032 205.3
[M+NH4]+ 422.26492 202.0
[M+K]+ 443.19426 200.4
[M-H]- 403.22382 197.5
[M+Na-2H]- 425.20577 196.6
[M]+ 404.23055 197.6
[M]- 404.23165 197.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe