CID 3058122

74627-40-0

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CN1C[C@@H](CC2([C@H]1CC3=CNC4=CC=CC2=C34)OC)CC(C#N)C(=O)N
InChI
InChI=1S/C20H24N4O2/c1-24-11-12(6-13(9-21)19(22)25)8-20(26-2)15-4-3-5-16-18(15)14(10-23-16)7-17(20)24/h3-5,10,12-13,17,23H,6-8,11H2,1-2H3,(H2,22,25)/t12-,13?,17-,20?/m1/s1
InChIKey
WDVBNWAIXDYMCJ-SHAGPBBNSA-N
Compound name
3-[(6aR,9R)-10a-methoxy-7-methyl-4,6,6a,8,9,10-hexahydroindolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 187.6
[M+Na]+ 375.17912 197.0
[M+NH4]+ 370.22372 192.3
[M+K]+ 391.15306 187.5
[M-H]- 351.18262 180.9
[M+Na-2H]- 373.16457 186.4
[M]+ 352.18935 186.1
[M]- 352.19045 186.1
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.