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]+ 307.201616 175.2
[M+Na]+ 329.183558 179.9
[M-H]- 305.187064 179.4
[M+NH4]+ 324.228163 190.4
[M+K]+ 345.157498 177.8
[M+H-H2O]+ 289.191600 166.9
[M+HCOO]- 351.192541 200.7
[M+CH3COO]- 365.208191 214.1
[M+Na-2H]- 327.169006 177.6
[M]+ 306.19379142 181.2
[M]- 306.19488858 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.