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]+ 321.21728 179.7
[M+Na]+ 343.19922 184.0
[M-H]- 319.20272 183.7
[M+NH4]+ 338.24382 194.4
[M+K]+ 359.17316 181.7
[M+H-H2O]+ 303.20726 171.2
[M+HCOO]- 365.20820 204.8
[M+CH3COO]- 379.22385 217.1
[M+Na-2H]- 341.18467 181.6
[M]+ 320.20945 186.1
[M]- 320.21055 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.