CID 3051693

4-morpholinesulfonamide, n-((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-

Structural Information

Molecular Formula
C20H26N4O3S
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CNS(=O)(=O)N5CCOCC5
InChI
InChI=1S/C20H26N4O3S/c1-23-13-14(11-22-28(25,26)24-5-7-27-8-6-24)9-17-16-3-2-4-18-20(16)15(12-21-18)10-19(17)23/h2-4,9,12,14,19,21-22H,5-8,10-11,13H2,1H3/t14-,19+/m0/s1
InChIKey
OLSAIERDYJKXEW-IFXJQAMLSA-N
Compound name
N-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]morpholine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.17258 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17986 190.5
[M+Na]+ 425.16180 201.6
[M+NH4]+ 420.20640 197.7
[M+K]+ 441.13574 195.5
[M-H]- 401.16530 193.9
[M+Na-2H]- 423.14725 192.7
[M]+ 402.17203 193.4
[M]- 402.17313 193.4
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