CID 44457783

65527-62-0

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CC)CC
InChI
InChI=1S/C21H27N3O/c1-4-23(5-2)21(25)15-10-17-16-8-7-9-18-20(16)14(12-22-18)11-19(17)24(6-3)13-15/h7-10,12,15,19,22H,4-6,11,13H2,1-3H3/t15-,19-/m1/s1
InChIKey
MYNOUXJLOHVSMQ-DNVCBOLYSA-N
Compound name
(6aR,9R)-N,N,7-triethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

183
Patents

337.21542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 184.2
[M+Na]+ 360.20464 190.4
[M-H]- 336.20814 186.4
[M+NH4]+ 355.24924 200.1
[M+K]+ 376.17858 184.7
[M+H-H2O]+ 320.21268 175.3
[M+HCOO]- 382.21362 198.5
[M+CH3COO]- 396.22927 193.1
[M+Na-2H]- 358.19009 185.9
[M]+ 337.21487 185.3
[M]- 337.21597 185.3
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.