CID 212687

Acetyldihydrolysergamine

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC(=O)NC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C18H23N3O/c1-11(22)19-8-12-6-15-14-4-3-5-16-18(14)13(9-20-16)7-17(15)21(2)10-12/h3-5,9,12,15,17,20H,6-8,10H2,1-2H3,(H,19,22)/t12-,15?,17+/m0/s1
InChIKey
SGZVEWGAZGOWGP-CZZJGDGRSA-N
Compound name
N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 170.8
[M+Na]+ 320.17332 177.4
[M-H]- 296.17682 171.8
[M+NH4]+ 315.21792 187.8
[M+K]+ 336.14726 171.2
[M+H-H2O]+ 280.18136 162.7
[M+HCOO]- 342.18230 184.3
[M+CH3COO]- 356.19795 180.1
[M+Na-2H]- 318.15877 174.0
[M]+ 297.18355 168.5
[M]- 297.18465 168.5
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