CID 200730

Brn 0704103

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC(C)C(=O)NC[C@@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C20H27N3O/c1-12(2)20(24)22-9-13-7-16-15-5-4-6-17-19(15)14(10-21-17)8-18(16)23(3)11-13/h4-6,10,12-13,16,18,21H,7-9,11H2,1-3H3,(H,22,24)/t13-,16?,18+/m0/s1
InChIKey
BDSVPQAZFFARGB-HDUJFRAXSA-N
Compound name
N-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 180.3
[M+Na]+ 348.20464 185.6
[M-H]- 324.20814 181.0
[M+NH4]+ 343.24924 196.0
[M+K]+ 364.17858 179.6
[M+H-H2O]+ 308.21268 172.1
[M+HCOO]- 370.21362 192.0
[M+CH3COO]- 384.22927 188.6
[M+Na-2H]- 346.19009 181.2
[M]+ 325.21487 178.0
[M]- 325.21597 178.0
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.