CID 9796528

Lek-8829

Structural Information

Molecular Formula
C20H23N3
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN(C)CC#C
InChI
InChI=1S/C20H23N3/c1-4-8-22(2)12-14-9-17-16-6-5-7-18-20(16)15(11-21-18)10-19(17)23(3)13-14/h1,5-7,9,11,14,19,21H,8,10,12-13H2,2-3H3/t14-,19+/m0/s1
InChIKey
YBCGYAGNYOYLDH-IFXJQAMLSA-N
Compound name
N-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

305.1892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 177.0
[M+Na]+ 328.17842 187.1
[M-H]- 304.18192 176.8
[M+NH4]+ 323.22302 191.9
[M+K]+ 344.15236 176.1
[M+H-H2O]+ 288.18646 162.3
[M+HCOO]- 350.18740 187.0
[M+CH3COO]- 364.20305 184.8
[M+Na-2H]- 326.16387 178.6
[M]+ 305.18865 171.3
[M]- 305.18975 171.3
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