CID 121535

Brn 0763759

Structural Information

Molecular Formula
C19H25N3O
SMILES
CCC(=O)NC[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C
InChI
InChI=1S/C19H25N3O/c1-3-18(23)21-9-12-7-15-14-5-4-6-16-19(14)13(10-20-16)8-17(15)22(2)11-12/h4-6,10,12,15,17,20H,3,7-9,11H2,1-2H3,(H,21,23)/t12-,15+,17+/m0/s1
InChIKey
GFPMKMQDZULHSF-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]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.19977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20705 175.4
[M+Na]+ 334.18899 181.4
[M-H]- 310.19249 176.1
[M+NH4]+ 329.23359 191.7
[M+K]+ 350.16293 175.1
[M+H-H2O]+ 294.19703 167.0
[M+HCOO]- 356.19797 188.5
[M+CH3COO]- 370.21362 184.2
[M+Na-2H]- 332.17444 177.9
[M]+ 311.19922 173.3
[M]- 311.20032 173.3
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.