CID 163581

1-propylagroclavine

Structural Information

Molecular Formula
C19H24N2
SMILES
CCCN1C=C2C[C@@H]3[C@H](C=C(CN3C)C)C4=C2C1=CC=C4
InChI
InChI=1S/C19H24N2/c1-4-8-21-12-14-10-18-16(9-13(2)11-20(18)3)15-6-5-7-17(21)19(14)15/h5-7,9,12,16,18H,4,8,10-11H2,1-3H3/t16-,18-/m1/s1
InChIKey
BHVLXRUVIPEIKP-SJLPKXTDSA-N
Compound name
(6aR,10aR)-7,9-dimethyl-4-propyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 168.3
[M+Na]+ 303.18316 183.8
[M+NH4]+ 298.22776 178.8
[M+K]+ 319.15710 175.8
[M-H]- 279.18666 171.8
[M+Na-2H]- 301.16861 172.4
[M]+ 280.19339 171.8
[M]- 280.19449 171.8
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.