CID 9570726

Benzamide, 2-butoxy-n-(2-butylideneaminooxyethyl)-3-methoxy-, 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]+ 337.212176 183.0
[M+Na]+ 359.194118 186.8
[M-H]- 335.197624 187.0
[M+NH4]+ 354.238723 196.8
[M+K]+ 375.168058 185.7
[M+H-H2O]+ 319.202160 174.4
[M+HCOO]- 381.203101 207.3
[M+CH3COO]- 395.218751 220.1
[M+Na-2H]- 357.179566 183.7
[M]+ 336.20435142 190.2
[M]- 336.20544858 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.