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]+ 312.207046 175.4
[M+Na]+ 334.188988 181.4
[M-H]- 310.192494 176.1
[M+NH4]+ 329.233593 191.7
[M+K]+ 350.162928 175.1
[M+H-H2O]+ 294.197030 167.0
[M+HCOO]- 356.197971 188.5
[M+CH3COO]- 370.213621 184.2
[M+Na-2H]- 332.174436 177.9
[M]+ 311.19922142 173.3
[M]- 311.20031858 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.