CID 3058117

74627-33-1

Structural Information

Molecular Formula
C26H28N4O
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C26H28N4O/c1-30-16-18(10-19(13-27)26(31)29-14-17-6-3-2-4-7-17)11-22-21-8-5-9-23-25(21)20(15-28-23)12-24(22)30/h2-9,15,18-19,22,24,28H,10-12,14,16H2,1H3,(H,29,31)/t18-,19?,22?,24-/m1/s1
InChIKey
XOSRPWNIEBLIHG-VHHZFHAKSA-N
Compound name
3-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-benzyl-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.22632 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.23360 209.0
[M+Na]+ 435.21554 220.5
[M+NH4]+ 430.26014 213.2
[M+K]+ 451.18948 209.9
[M-H]- 411.21904 205.3
[M+Na-2H]- 433.20099 209.0
[M]+ 412.22577 208.7
[M]- 412.22687 208.7
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.