CID 201993

7240-57-5

Structural Information

Molecular Formula
C19H23N3O
SMILES
CCNC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C
InChI
InChI=1S/C19H23N3O/c1-4-20-19(23)13-8-15-14-6-5-7-16-18(14)12(10-21(16)2)9-17(15)22(3)11-13/h5-8,10,13,17H,4,9,11H2,1-3H3,(H,20,23)/t13-,17-/m1/s1
InChIKey
OLUVTYNEBIODME-CXAGYDPISA-N
Compound name
(6aR,9R)-N-ethyl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.1841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.191376 175.5
[M+Na]+ 332.173318 183.9
[M-H]- 308.176824 178.4
[M+NH4]+ 327.217923 193.0
[M+K]+ 348.147258 178.1
[M+H-H2O]+ 292.181360 167.0
[M+HCOO]- 354.182301 191.5
[M+CH3COO]- 368.197951 185.8
[M+Na-2H]- 330.158766 178.6
[M]+ 309.18355142 177.0
[M]- 309.18464858 177.0
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