CID 3074685

(5r,8r,10r)-6-propyl-8-(1,2,4-triazol-1-ylmethyl)ergoline maleate

Structural Information

Molecular Formula
C20H25N5
SMILES
CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=NC=N5
InChI
InChI=1S/C20H25N5/c1-2-6-24-10-14(11-25-13-21-12-23-25)7-17-16-4-3-5-18-20(16)15(9-22-18)8-19(17)24/h3-5,9,12-14,17,19,22H,2,6-8,10-11H2,1H3/t14-,17?,19-/m1/s1
InChIKey
JCHWMUQNXYEVHW-LJMFKLJISA-N
Compound name
(6aR,9R)-7-propyl-9-(1,2,4-triazol-1-ylmethyl)-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

0
Patents

335.211 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21828 182.9
[M+Na]+ 358.20022 196.5
[M+NH4]+ 353.24482 191.0
[M+K]+ 374.17416 191.6
[M-H]- 334.20372 185.0
[M+Na-2H]- 356.18567 186.1
[M]+ 335.21045 185.4
[M]- 335.21155 185.4
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

No patent data available for this compound.