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]+ 341.197176 180.2
[M+Na]+ 363.179118 184.7
[M-H]- 339.182624 180.1
[M+NH4]+ 358.223723 194.0
[M+K]+ 379.153058 179.4
[M+H-H2O]+ 323.187160 172.4
[M+HCOO]- 385.188101 191.4
[M+CH3COO]- 399.203751 187.7
[M+Na-2H]- 361.164566 179.8
[M]+ 340.18935142 175.5
[M]- 340.19044858 175.5
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.