CID 200494

Brn 0704153

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCC(=O)NC[C@@H]1CC2[C@@H](CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C20H27N3O/c1-4-19(24)21-10-13-8-16-15-6-5-7-17-20(15)14(12-23(17)3)9-18(16)22(2)11-13/h5-7,12-13,16,18H,4,8-11H2,1-3H3,(H,21,24)/t13-,16?,18+/m0/s1
InChIKey
ZYYMXDCJUUXDOG-HDUJFRAXSA-N
Compound name
N-[[(6aR,9S)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 179.8
[M+Na]+ 348.20464 191.9
[M+NH4]+ 343.24924 188.4
[M+K]+ 364.17858 185.6
[M-H]- 324.20814 182.2
[M+Na-2H]- 346.19009 181.5
[M]+ 325.21487 182.1
[M]- 325.21597 182.1
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

No patent data available for this compound.