CID 10171

Bromolysergide

Structural Information

Molecular Formula
C20H24BrN3O
SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=C(NC4=CC=CC(=C34)C2=C1)Br)C
InChI
InChI=1S/C20H24BrN3O/c1-4-24(5-2)20(25)12-9-14-13-7-6-8-16-18(13)15(19(21)22-16)10-17(14)23(3)11-12/h6-9,12,17,22H,4-5,10-11H2,1-3H3/t12-,17-/m1/s1
InChIKey
VKRAXSZEDRWLAG-SJKOYZFVSA-N
Compound name
(6aR,9R)-5-bromo-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

250
Patents

401.11026 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11754 190.3
[M+Na]+ 424.09948 193.0
[M+NH4]+ 419.14408 194.8
[M+K]+ 440.07342 193.0
[M-H]- 400.10298 190.9
[M+Na-2H]- 422.08493 189.0
[M]+ 401.10971 189.6
[M]- 401.11081 189.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe