CID 45173

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

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCCC=NCCNC(=O)C1=C(C(=CC=C1)OC)OCCC
InChI
InChI=1S/C18H28N2O3/c1-4-6-7-11-19-12-13-20-18(21)15-9-8-10-16(22-3)17(15)23-14-5-2/h8-11H,4-7,12-14H2,1-3H3,(H,20,21)
InChIKey
DKRBKIKOSOZWOL-UHFFFAOYSA-N
Compound name
3-methoxy-N-[2-(pentylideneamino)ethyl]-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 179.7
[M+Na]+ 343.199218 184.0
[M-H]- 319.202724 183.7
[M+NH4]+ 338.243823 194.4
[M+K]+ 359.173158 181.7
[M+H-H2O]+ 303.207260 171.2
[M+HCOO]- 365.208201 204.8
[M+CH3COO]- 379.223851 217.1
[M+Na-2H]- 341.184666 181.6
[M]+ 320.20945142 186.1
[M]- 320.21054858 186.1
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.