CID 3051692

1,1-dimethyl-3-(6-methyl-8-beta-ergolenylmethyl)sulfonamide

Structural Information

Molecular Formula
C18H26N4O2S
SMILES
CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CNS(=O)(=O)N(C)C
InChI
InChI=1S/C18H26N4O2S/c1-21(2)25(23,24)20-9-12-7-15-14-5-4-6-16-18(14)13(10-19-16)8-17(15)22(3)11-12/h4-6,10,12,15,17,19-20H,7-9,11H2,1-3H3/t12-,15?,17+/m0/s1
InChIKey
AWCFXRQDDNRJFB-CZZJGDGRSA-N
Compound name
(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

362.17764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18492 181.3
[M+Na]+ 385.16686 190.7
[M+NH4]+ 380.21146 188.9
[M+K]+ 401.14080 185.0
[M-H]- 361.17036 182.7
[M+Na-2H]- 383.15231 183.1
[M]+ 362.17709 183.3
[M]- 362.17819 183.3
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