CID 65916

Terbequinil

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCCNC(=O)C1=CN(C2=CC=CC=C2C1=O)COC
InChI
InChI=1S/C15H18N2O3/c1-3-8-16-15(19)12-9-17(10-20-2)13-7-5-4-6-11(13)14(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKey
RIPDGZHPNKQLDC-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-4-oxo-N-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

274.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 162.3
[M+Na]+ 297.12096 175.0
[M+NH4]+ 292.16556 169.1
[M+K]+ 313.09490 168.3
[M-H]- 273.12446 164.0
[M+Na-2H]- 295.10641 167.6
[M]+ 274.13119 164.4
[M]- 274.13229 164.4
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