CID 9570726

N-(2-butylideneaminooxyethyl)-2-butoxy-3-methoxybenzamide oxalate

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)NCCO/N=C(\C)/CC
InChI
InChI=1S/C18H28N2O4/c1-5-7-12-23-17-15(9-8-10-16(17)22-4)18(21)19-11-13-24-20-14(3)6-2/h8-10H,5-7,11-13H2,1-4H3,(H,19,21)/b20-14+
InChIKey
PTNDYJHZIUNWLS-XSFVSMFZSA-N
Compound name
N-[2-[(E)-butan-2-ylideneamino]oxyethyl]-2-butoxy-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 183.0
[M+Na]+ 359.19412 186.8
[M-H]- 335.19762 187.0
[M+NH4]+ 354.23872 196.8
[M+K]+ 375.16806 185.7
[M+H-H2O]+ 319.20216 174.4
[M+HCOO]- 381.20310 207.3
[M+CH3COO]- 395.21875 220.1
[M+Na-2H]- 357.17957 183.7
[M]+ 336.20435 190.2
[M]- 336.20545 190.2
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.