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

79
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 161.7
[M+Na]+ 297.12096 170.0
[M-H]- 273.12446 165.1
[M+NH4]+ 292.16556 177.7
[M+K]+ 313.09490 166.7
[M+H-H2O]+ 257.12900 153.8
[M+HCOO]- 319.12994 183.8
[M+CH3COO]- 333.14559 202.7
[M+Na-2H]- 295.10641 167.1
[M]+ 274.13119 165.7
[M]- 274.13229 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