CID 3039342

50485-03-5

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCNC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C(=O)C)C
InChI
InChI=1S/C20H23N3O2/c1-4-21-20(25)14-8-16-15-6-5-7-17-19(15)13(11-23(17)12(2)24)9-18(16)22(3)10-14/h5-8,11,14,18H,4,9-10H2,1-3H3,(H,21,25)/t14-,18-/m1/s1
InChIKey
UKRWCEJTOPSTEC-RDTXWAMCSA-N
Compound name
(6aR,9R)-4-acetyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

337.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.186296 182.2
[M+Na]+ 360.168238 189.8
[M-H]- 336.171744 185.0
[M+NH4]+ 355.212843 198.2
[M+K]+ 376.142178 184.6
[M+H-H2O]+ 320.176280 173.8
[M+HCOO]- 382.177221 197.1
[M+CH3COO]- 396.192871 191.8
[M+Na-2H]- 358.153686 183.9
[M]+ 337.17847142 184.1
[M]- 337.17956858 184.1
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

patents stripe