CID 3062781

98931-11-4

Structural Information

Molecular Formula
C21H28N2
SMILES
CCCN1C=C2C[C@@H]3C(C[C@H](CN3CC=C)C)C4=C2C1=CC=C4
InChI
InChI=1S/C21H28N2/c1-4-9-22-13-15(3)11-18-17-7-6-8-19-21(17)16(12-20(18)22)14-23(19)10-5-2/h4,6-8,14-15,18,20H,1,5,9-13H2,2-3H3/t15-,18?,20-/m1/s1
InChIKey
FCMVSBDJCLWZSZ-FBOUHOSPSA-N
Compound name
(6aR,9R)-9-methyl-7-prop-2-enyl-4-propyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 177.9
[M+Na]+ 331.21447 192.0
[M+NH4]+ 326.25907 187.7
[M+K]+ 347.18841 183.7
[M-H]- 307.21797 180.9
[M+Na-2H]- 329.19992 180.4
[M]+ 308.22470 180.9
[M]- 308.22580 180.9
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.