CID 100075

Ergoline, 8,9-didehydro-1,6,8-trimethyl-

Structural Information

Molecular Formula
C17H20N2
SMILES
CC1=CC2C(CC3=CN(C4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C17H20N2/c1-11-7-14-13-5-4-6-15-17(13)12(10-19(15)3)8-16(14)18(2)9-11/h4-7,10,14,16H,8-9H2,1-3H3
InChIKey
ISLKAYNJMFACBB-UHFFFAOYSA-N
Compound name
4,7,9-trimethyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

252.16264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 160.7
[M+Na]+ 275.151858 171.1
[M-H]- 251.155364 164.0
[M+NH4]+ 270.196463 181.1
[M+K]+ 291.125798 165.1
[M+H-H2O]+ 235.159900 152.7
[M+HCOO]- 297.160841 177.1
[M+CH3COO]- 311.176491 172.7
[M+Na-2H]- 273.137306 165.1
[M]+ 252.16209142 162.1
[M]- 252.16318858 162.1
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