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 170.2
[M+Na]+ 303.18316 179.7
[M-H]- 279.18666 173.0
[M+NH4]+ 298.22776 189.4
[M+K]+ 319.15710 173.1
[M+H-H2O]+ 263.19120 161.7
[M+HCOO]- 325.19214 185.8
[M+CH3COO]- 339.20779 181.2
[M+Na-2H]- 301.16861 173.4
[M]+ 280.19339 172.2
[M]- 280.19449 172.2
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

patents stripe