CID 5095

Ropinirole

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCCN(CCC)CCC1=C2CC(=O)NC2=CC=C1
InChI
InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChIKey
UHSKFQJFRQCDBE-UHFFFAOYSA-N
Compound name
4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

998
References

32480
Patents

260.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 164.6
[M+Na]+ 283.17809 170.2
[M-H]- 259.18159 166.9
[M+NH4]+ 278.22269 182.8
[M+K]+ 299.15203 166.3
[M+H-H2O]+ 243.18613 157.1
[M+HCOO]- 305.18707 185.1
[M+CH3COO]- 319.20272 201.9
[M+Na-2H]- 281.16354 166.5
[M]+ 260.18832 165.7
[M]- 260.18942 165.7
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