CID 9979008

6-norcabergoline

Structural Information

Molecular Formula
C23H33N5O2
SMILES
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)NC1
InChI
InChI=1S/C23H33N5O2/c1-4-24-23(30)28(10-6-9-27(2)3)22(29)16-11-18-17-7-5-8-19-21(17)15(13-25-19)12-20(18)26-14-16/h5,7-8,13,16,18,20,25-26H,4,6,9-12,14H2,1-3H3,(H,24,30)/t16-,18-,20-/m1/s1
InChIKey
XOLPCQSBSDIBGB-YVWKXTFCSA-N
Compound name
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

411.26343 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.27071 198.7
[M+Na]+ 434.25265 205.2
[M+NH4]+ 429.29725 204.4
[M+K]+ 450.22659 201.8
[M-H]- 410.25615 199.9
[M+Na-2H]- 432.23810 198.3
[M]+ 411.26288 199.3
[M]- 411.26398 199.3
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