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]+ 326.222696 180.3
[M+Na]+ 348.204638 185.6
[M-H]- 324.208144 181.0
[M+NH4]+ 343.249243 196.0
[M+K]+ 364.178578 179.6
[M+H-H2O]+ 308.212680 172.1
[M+HCOO]- 370.213621 192.0
[M+CH3COO]- 384.229271 188.6
[M+Na-2H]- 346.190086 181.2
[M]+ 325.21487142 178.0
[M]- 325.21596858 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.