CID 56843556

33e77g1p59

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]+ 321.17098 181.0
[M+Na]+ 343.15292 190.2
[M-H]- 319.15642 180.4
[M+NH4]+ 338.19752 194.5
[M+K]+ 359.12686 180.2
[M+H-H2O]+ 303.16096 166.5
[M+HCOO]- 365.16190 190.8
[M+CH3COO]- 379.17755 188.0
[M+Na-2H]- 341.13837 181.8
[M]+ 320.16315 173.6
[M]- 320.16425 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.