CID 45166

N-(2-pentylideneaminoethyl)-2-ethoxy-3-methoxybenzamide oxalate

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCCCC=NCCNC(=O)C1=C(C(=CC=C1)OC)OCC
InChI
InChI=1S/C17H26N2O3/c1-4-6-7-11-18-12-13-19-17(20)14-9-8-10-15(21-3)16(14)22-5-2/h8-11H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKey
RPDPWKRUJHRJHZ-UHFFFAOYSA-N
Compound name
2-ethoxy-3-methoxy-N-[2-(pentylideneamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.2
[M+Na]+ 329.18356 179.9
[M-H]- 305.18706 179.4
[M+NH4]+ 324.22816 190.4
[M+K]+ 345.15750 177.8
[M+H-H2O]+ 289.19160 166.9
[M+HCOO]- 351.19254 200.7
[M+CH3COO]- 365.20819 214.1
[M+Na-2H]- 327.16901 177.6
[M]+ 306.19379 181.2
[M]- 306.19489 181.2
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

No patent data available for this compound.