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 180.2
[M+Na]+ 363.17912 184.7
[M-H]- 339.18262 180.1
[M+NH4]+ 358.22372 194.0
[M+K]+ 379.15306 179.4
[M+H-H2O]+ 323.18716 172.4
[M+HCOO]- 385.18810 191.4
[M+CH3COO]- 399.20375 187.7
[M+Na-2H]- 361.16457 179.8
[M]+ 340.18935 175.5
[M]- 340.19045 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.