CID 103095

Einecs 265-344-8

Structural Information

Molecular Formula
C17H24N2O6
SMILES
CC(=O)NC1=CC(=C(C=C1)OC)N(CCC(=O)OC)CCOC(=O)C
InChI
InChI=1S/C17H24N2O6/c1-12(20)18-14-5-6-16(23-3)15(11-14)19(8-7-17(22)24-4)9-10-25-13(2)21/h5-6,11H,7-10H2,1-4H3,(H,18,20)
InChIKey
NTQZWYMCQHRHSU-UHFFFAOYSA-N
Compound name
methyl 3-[5-acetamido-N-(2-acetyloxyethyl)-2-methoxyanilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.16342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17070 182.3
[M+Na]+ 375.15264 186.2
[M-H]- 351.15614 186.7
[M+NH4]+ 370.19724 195.1
[M+K]+ 391.12658 187.2
[M+H-H2O]+ 335.16068 173.9
[M+HCOO]- 397.16162 205.6
[M+CH3COO]- 411.17727 221.7
[M+Na-2H]- 373.13809 181.6
[M]+ 352.16287 190.0
[M]- 352.16397 190.0
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.