CID 3051689

67658-58-6

Structural Information

Molecular Formula
C22H30N4O2S
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNS(=O)(=O)N5CCCCC5
InChI
InChI=1S/C22H30N4O2S/c1-24-14-16(13-23-29(27,28)26-9-4-3-5-10-26)11-19-18-7-6-8-20-22(18)17(12-21(19)24)15-25(20)2/h6-8,11,15-16,21,23H,3-5,9-10,12-14H2,1-2H3/t16-,21+/m0/s1
InChIKey
IHJNYQIXRDWWAK-HRAATJIYSA-N
Compound name
N-[[(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]piperidine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

414.20895 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21623 196.4
[M+Na]+ 437.19817 208.0
[M+NH4]+ 432.24277 204.3
[M+K]+ 453.17211 200.5
[M-H]- 413.20167 199.5
[M+Na-2H]- 435.18362 199.4
[M]+ 414.20840 199.3
[M]- 414.20950 199.3
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

patents stripe