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

0
Patents

309.1841 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.5
[M+Na]+ 332.17332 183.9
[M-H]- 308.17682 178.4
[M+NH4]+ 327.21792 193.0
[M+K]+ 348.14726 178.1
[M+H-H2O]+ 292.18136 167.0
[M+HCOO]- 354.18230 191.5
[M+CH3COO]- 368.19795 185.8
[M+Na-2H]- 330.15877 178.6
[M]+ 309.18355 177.0
[M]- 309.18465 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