CID 3062778

98931-08-9

Structural Information

Molecular Formula
C18H24N2
SMILES
CCCN1C=C2C[C@@H]3C(C[C@H](CN3)C)C4=C2C1=CC=C4
InChI
InChI=1S/C18H24N2/c1-3-7-20-11-13-9-16-15(8-12(2)10-19-16)14-5-4-6-17(20)18(13)14/h4-6,11-12,15-16,19H,3,7-10H2,1-2H3/t12-,15?,16-/m1/s1
InChIKey
BPIPCCOMTYADJH-IATLWXBXSA-N
Compound name
(6aR,9R)-9-methyl-4-propyl-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

268.19394 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20122 166.1
[M+Na]+ 291.18316 173.7
[M-H]- 267.18666 167.0
[M+NH4]+ 286.22776 184.8
[M+K]+ 307.15710 166.8
[M+H-H2O]+ 251.19120 157.9
[M+HCOO]- 313.19214 179.2
[M+CH3COO]- 327.20779 176.1
[M+Na-2H]- 289.16861 169.3
[M]+ 268.19339 164.2
[M]- 268.19449 164.2
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.