CID 71118

Acetergamine

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC(=O)NC[C@@H]1C[C@H]2[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-XGWLTEMNSA-N
Compound name
N-[[(6aR,9S,10aR)-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
3
Annotation Hits

1
References

539
Patents

297.1841 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 170.8
[M+Na]+ 320.173318 177.4
[M-H]- 296.176824 171.8
[M+NH4]+ 315.217923 187.8
[M+K]+ 336.147258 171.2
[M+H-H2O]+ 280.181360 162.7
[M+HCOO]- 342.182301 184.3
[M+CH3COO]- 356.197951 180.1
[M+Na-2H]- 318.158766 174.0
[M]+ 297.18355142 168.5
[M]- 297.18464858 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

literature stripe

Patent stripe

patents stripe