CID 133741

7-hydroxy ropinirole

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CCCN(CCC)CCC1=C2CC(=O)NC2=C(C=C1)O
InChI
InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
InChIKey
PVIICBUWKXYFAA-UHFFFAOYSA-N
Compound name
4-[2-(dipropylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

25
Patents

276.18378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.6
[M+Na]+ 299.17300 173.6
[M-H]- 275.17650 169.0
[M+NH4]+ 294.21760 184.7
[M+K]+ 315.14694 169.5
[M+H-H2O]+ 259.18104 160.6
[M+HCOO]- 321.18198 186.8
[M+CH3COO]- 335.19763 202.7
[M+Na-2H]- 297.15845 168.5
[M]+ 276.18323 168.7
[M]- 276.18433 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe