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
2
Annotation Hits

0
References

80
Patents

274.13174 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 161.7
[M+Na]+ 297.120958 170.0
[M-H]- 273.124464 165.1
[M+NH4]+ 292.165563 177.7
[M+K]+ 313.094898 166.7
[M+H-H2O]+ 257.129000 153.8
[M+HCOO]- 319.129941 183.8
[M+CH3COO]- 333.145591 202.7
[M+Na-2H]- 295.106406 167.1
[M]+ 274.13119142 165.7
[M]- 274.13228858 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

No literature data available for this compound.

Patent stripe

patents stripe