CID 56843556

88133-19-1

Structural Information

Molecular Formula
C19H20N4O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N
InChI
InChI=1S/C19H20N4O/c1-23-10-11(5-12(8-20)19(21)24)6-15-14-3-2-4-16-18(14)13(9-22-16)7-17(15)23/h2-4,6,9,11-12,17,22H,5,7,10H2,1H3,(H2,21,24)/t11-,12?,17-/m1/s1
InChIKey
KIGWLQJAJQIKNY-PLCQNAAUSA-N
Compound name
3-[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-cyanopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1637 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.170976 181.0
[M+Na]+ 343.152918 190.2
[M-H]- 319.156424 180.4
[M+NH4]+ 338.197523 194.5
[M+K]+ 359.126858 180.2
[M+H-H2O]+ 303.160960 166.5
[M+HCOO]- 365.161901 190.8
[M+CH3COO]- 379.177551 188.0
[M+Na-2H]- 341.138366 181.8
[M]+ 320.16315142 173.6
[M]- 320.16424858 173.6
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.