CID 103704

52927-74-9

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCC1CN2CCC3=CC(=C(C=C3C2CC1=C(C#N)C#N)OC)OC
InChI
InChI=1S/C20H23N3O2/c1-4-13-12-23-6-5-14-7-19(24-2)20(25-3)9-17(14)18(23)8-16(13)15(10-21)11-22/h7,9,13,18H,4-6,8,12H2,1-3H3
InChIKey
QBYYWAACEVWMKS-UHFFFAOYSA-N
Compound name
2-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 180.1
[M+Na]+ 360.168238 189.6
[M-H]- 336.171744 182.4
[M+NH4]+ 355.212843 189.7
[M+K]+ 376.142178 180.8
[M+H-H2O]+ 320.176280 164.4
[M+HCOO]- 382.177221 185.9
[M+CH3COO]- 396.192871 235.9
[M+Na-2H]- 358.153686 179.0
[M]+ 337.17847142 171.3
[M]- 337.17956858 171.3
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