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

0
Patents

337.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 180.1
[M+Na]+ 360.16824 189.6
[M-H]- 336.17174 182.4
[M+NH4]+ 355.21284 189.7
[M+K]+ 376.14218 180.8
[M+H-H2O]+ 320.17628 164.4
[M+HCOO]- 382.17722 185.9
[M+CH3COO]- 396.19287 235.9
[M+Na-2H]- 358.15369 179.0
[M]+ 337.17847 171.3
[M]- 337.17957 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

No patent data available for this compound.