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 196.7
[M-H]- 351.18262 186.9
[M+NH4]+ 370.22372 201.7
[M+K]+ 391.15306 186.8
[M+H-H2O]+ 335.18716 173.3
[M+HCOO]- 397.18810 196.1
[M+CH3COO]- 411.20375 194.2
[M+Na-2H]- 373.16457 188.4
[M]+ 352.18935 180.9
[M]- 352.19045 180.9
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.