CID 3062782

98931-12-5

Structural Information

Molecular Formula
C21H26N2
SMILES
C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)CC=C)N(C1)CC=C
InChI
InChI=1S/C21H26N2/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/h4-8,14-15,18,20H,1-2,9-13H2,3H3/t15-,18?,20-/m1/s1
InChIKey
QRHKKYHYPBYXHH-FBOUHOSPSA-N
Compound name
(6aR,9R)-9-methyl-4,7-bis(prop-2-enyl)-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

306.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 178.2
[M+Na]+ 329.19882 186.3
[M-H]- 305.20232 180.2
[M+NH4]+ 324.24342 196.0
[M+K]+ 345.17276 178.2
[M+H-H2O]+ 289.20686 169.3
[M+HCOO]- 351.20780 192.0
[M+CH3COO]- 365.22345 187.8
[M+Na-2H]- 327.18427 179.3
[M]+ 306.20905 177.9
[M]- 306.21015 177.9
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

patents stripe