CID 15227511

Al-lad

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)CC=C
InChI
InChI=1S/C22H27N3O/c1-4-10-25-14-16(22(26)24(5-2)6-3)11-18-17-8-7-9-19-21(17)15(13-23-19)12-20(18)25/h4,7-9,11,13,16,20,23H,1,5-6,10,12,14H2,2-3H3/t16-,20-/m1/s1
InChIKey
JCQLEPDZFXGHHQ-OXQOHEQNSA-N
Compound name
(6aR,9R)-N,N-diethyl-7-prop-2-enyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

178
Patents

349.21542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 187.7
[M+Na]+ 372.20464 193.6
[M-H]- 348.20814 189.7
[M+NH4]+ 367.24924 202.9
[M+K]+ 388.17858 187.2
[M+H-H2O]+ 332.21268 178.6
[M+HCOO]- 394.21362 201.8
[M+CH3COO]- 408.22927 196.2
[M+Na-2H]- 370.19009 188.8
[M]+ 349.21487 188.4
[M]- 349.21597 188.4
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.