CID 56843123

Propanediamide, 2-(((8-beta)-6-methylergolin-8-yl)methyl)-

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C(=O)N)C(=O)N
InChI
InChI=1S/C19H24N4O2/c1-23-9-10(6-14(18(20)24)19(21)25)5-13-12-3-2-4-15-17(12)11(8-22-15)7-16(13)23/h2-4,8,10,13-14,16,22H,5-7,9H2,1H3,(H2,20,24)(H2,21,25)/t10-,13+,16+/m0/s1
InChIKey
UVOXLYUKPUJQAC-OWRWGESLSA-N
Compound name
2-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 179.1
[M+Na]+ 363.17912 187.3
[M+NH4]+ 358.22372 185.6
[M+K]+ 379.15306 184.6
[M-H]- 339.18262 179.7
[M+Na-2H]- 361.16457 178.5
[M]+ 340.18935 179.9
[M]- 340.19045 179.9
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

No patent data available for this compound.