CID 3062779

98931-09-0

Structural Information

Molecular Formula
C18H22N2
SMILES
C[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)CC=C)NC1
InChI
InChI=1S/C18H22N2/c1-3-7-20-11-13-9-16-15(8-12(2)10-19-16)14-5-4-6-17(20)18(13)14/h3-6,11-12,15-16,19H,1,7-10H2,2H3/t12-,15?,16-/m1/s1
InChIKey
OAWHAZTUUJRWIV-IATLWXBXSA-N
Compound name
(6aR,9R)-9-methyl-4-prop-2-enyl-6a,7,8,9,10,10a-hexahydro-6H-indolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 165.0
[M+Na]+ 289.16750 172.9
[M-H]- 265.17100 166.0
[M+NH4]+ 284.21210 183.7
[M+K]+ 305.14144 165.4
[M+H-H2O]+ 249.17554 156.9
[M+HCOO]- 311.17648 178.3
[M+CH3COO]- 325.19213 175.1
[M+Na-2H]- 287.15295 168.2
[M]+ 266.17773 162.4
[M]- 266.17883 162.4
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