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 183.4
[M+Na]+ 358.18899 190.8
[M-H]- 334.19249 187.9
[M+NH4]+ 353.23359 199.8
[M+K]+ 374.16293 184.4
[M+H-H2O]+ 318.19703 173.9
[M+HCOO]- 380.19797 195.7
[M+CH3COO]- 394.21362 192.6
[M+Na-2H]- 356.17444 181.2
[M]+ 335.19922 182.2
[M]- 335.20032 182.2
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