CID 201987

7221-79-6

Structural Information

Molecular Formula
C21H25N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)C(=O)N5CCCC5
InChI
InChI=1S/C21H25N3O/c1-22-12-14-11-19-17(16-6-5-7-18(22)20(14)16)10-15(13-23(19)2)21(25)24-8-3-4-9-24/h5-7,10,12,15,19H,3-4,8-9,11,13H2,1-2H3/t15-,19-/m1/s1
InChIKey
PWISINPCTJKXCA-DNVCBOLYSA-N
Compound name
[(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 181.5
[M+Na]+ 358.18899 194.6
[M+NH4]+ 353.23359 190.6
[M+K]+ 374.16293 190.3
[M-H]- 334.19249 184.8
[M+Na-2H]- 356.17444 184.2
[M]+ 335.19922 184.3
[M]- 335.20032 184.3
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.