CID 58145

Sdz hdc 912

Structural Information

Molecular Formula
C20H26ClN3O
SMILES
CC(C)(C)C(=O)N[C@H]1C[C@H]2[C@@H](CC3=C(NC4=CC=CC2=C34)Cl)N(C1)C
InChI
InChI=1S/C20H26ClN3O/c1-20(2,3)19(25)22-11-8-13-12-6-5-7-15-17(12)14(18(21)23-15)9-16(13)24(4)10-11/h5-7,11,13,16,23H,8-10H2,1-4H3,(H,22,25)/t11-,13+,16+/m0/s1
InChIKey
QXOFQMUQMXGKGQ-NORZTCDRSA-N
Compound name
N-[(6aR,9S,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

57
Patents

359.17645 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18373 185.5
[M+Na]+ 382.16567 197.6
[M+NH4]+ 377.21027 193.8
[M+K]+ 398.13961 191.9
[M-H]- 358.16917 186.9
[M+Na-2H]- 380.15112 186.8
[M]+ 359.17590 187.9
[M]- 359.17700 187.9
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