CID 170622

Einecs 255-716-8

Structural Information

Molecular Formula
C17H26N2O5
SMILES
CCN(CCC(=O)OCCOC)C1=C(C=CC(=C1)NC(=O)C)OC
InChI
InChI=1S/C17H26N2O5/c1-5-19(9-8-17(21)24-11-10-22-3)15-12-14(18-13(2)20)6-7-16(15)23-4/h6-7,12H,5,8-11H2,1-4H3,(H,18,20)
InChIKey
JANKXSWDUFKJEY-UHFFFAOYSA-N
Compound name
2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.18417 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.19145 181.2
[M+Na]+ 361.17339 185.1
[M-H]- 337.17689 185.5
[M+NH4]+ 356.21799 194.8
[M+K]+ 377.14733 185.5
[M+H-H2O]+ 321.18143 172.7
[M+HCOO]- 383.18237 205.1
[M+CH3COO]- 397.19802 220.1
[M+Na-2H]- 359.15884 181.4
[M]+ 338.18362 188.8
[M]- 338.18472 188.8
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