CID 503400

Schembl7114302

Structural Information

Molecular Formula
C16H18ClNO4
SMILES
CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OCC3OCCO3
InChI
InChI=1S/C16H18ClNO4/c1-2-3-11-15(22-9-14-20-6-7-21-14)12-8-10(17)4-5-13(12)18-16(11)19/h4-5,8,14H,2-3,6-7,9H2,1H3,(H,18,19)
InChIKey
MIVWKFYUCTVDJX-UHFFFAOYSA-N
Compound name
6-chloro-4-(1,3-dioxolan-2-ylmethoxy)-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

323.09244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09972 173.3
[M+Na]+ 346.08166 182.5
[M-H]- 322.08516 179.6
[M+NH4]+ 341.12626 186.8
[M+K]+ 362.05560 179.0
[M+H-H2O]+ 306.08970 166.5
[M+HCOO]- 368.09064 186.2
[M+CH3COO]- 382.10629 202.7
[M+Na-2H]- 344.06711 176.2
[M]+ 323.09189 178.4
[M]- 323.09299 178.4
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