CID 6454337

62072-82-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

352.16342 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.170696 182.3
[M+Na]+ 375.152638 186.2
[M-H]- 351.156144 186.7
[M+NH4]+ 370.197243 195.1
[M+K]+ 391.126578 187.2
[M+H-H2O]+ 335.160680 173.9
[M+HCOO]- 397.161621 205.6
[M+CH3COO]- 411.177271 221.7
[M+Na-2H]- 373.138086 181.6
[M]+ 352.16287142 190.0
[M]- 352.16396858 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

patents stripe