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
1
Annotation Hits

1
References

159
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

literature stripe

Patent stripe

patents stripe