CID 44512897

1197377-31-3

Structural Information

Molecular Formula
C16H15ClN2O3
SMILES
C1CC(=O)N(C1=O)C(C(CC2=CC3=C(C=C2)N=CC=C3)Cl)O
InChI
InChI=1S/C16H15ClN2O3/c17-12(16(22)19-14(20)5-6-15(19)21)9-10-3-4-13-11(8-10)2-1-7-18-13/h1-4,7-8,12,16,22H,5-6,9H2
InChIKey
FUPWOFWDARMISK-UHFFFAOYSA-N
Compound name
1-(2-chloro-1-hydroxy-3-quinolin-6-ylpropyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

318.07712 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08440 171.1
[M+Na]+ 341.06634 178.8
[M-H]- 317.06984 174.5
[M+NH4]+ 336.11094 185.4
[M+K]+ 357.04028 173.1
[M+H-H2O]+ 301.07438 163.3
[M+HCOO]- 363.07532 182.7
[M+CH3COO]- 377.09097 202.6
[M+Na-2H]- 339.05179 171.2
[M]+ 318.07657 171.8
[M]- 318.07767 171.8
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