CID 118951

Einecs 252-982-7

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)NCCC(=O)OCCOC
InChI
InChI=1S/C15H22N2O5/c1-11(18)17-12-4-5-14(21-3)13(10-12)16-7-6-15(19)22-9-8-20-2/h4-5,10,16H,6-9H2,1-3H3,(H,17,18)
InChIKey
JCXUJLWOJLTKRV-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(5-acetamido-2-methoxyanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

310.15286 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 171.8
[M+Na]+ 333.14208 176.3
[M-H]- 309.14558 174.9
[M+NH4]+ 328.18668 185.9
[M+K]+ 349.11602 175.7
[M+H-H2O]+ 293.15012 163.7
[M+HCOO]- 355.15106 195.8
[M+CH3COO]- 369.16671 210.9
[M+Na-2H]- 331.12753 173.7
[M]+ 310.15231 177.4
[M]- 310.15341 177.4
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

patents stripe