CID 503380

Gw 868x

Structural Information

Molecular Formula
C19H18ClNO2
SMILES
CCCC1=C(C2=C(C=CC(=C2)Cl)NC1=O)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18ClNO2/c1-2-6-15-18(23-12-13-7-4-3-5-8-13)16-11-14(20)9-10-17(16)21-19(15)22/h3-5,7-11H,2,6,12H2,1H3,(H,21,22)
InChIKey
WPCTYGSZCRKHNT-UHFFFAOYSA-N
Compound name
6-chloro-4-phenylmethoxy-3-propyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

327.1026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.10988 175.2
[M+Na]+ 350.09182 185.1
[M-H]- 326.09532 180.1
[M+NH4]+ 345.13642 189.4
[M+K]+ 366.06576 177.4
[M+H-H2O]+ 310.09986 166.9
[M+HCOO]- 372.10080 190.6
[M+CH3COO]- 386.11645 186.1
[M+Na-2H]- 348.07727 179.8
[M]+ 327.10205 179.2
[M]- 327.10315 179.2
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