CID 117913

27059-08-1

Structural Information

Molecular Formula
C16H22N2O5
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCOC(=O)C)CCOC(=O)C
InChI
InChI=1S/C16H22N2O5/c1-12(19)17-15-5-4-6-16(11-15)18(7-9-22-13(2)20)8-10-23-14(3)21/h4-6,11H,7-10H2,1-3H3,(H,17,19)
InChIKey
QHMJTMSGRAGQMU-UHFFFAOYSA-N
Compound name
2-[3-acetamido-N-(2-acetyloxyethyl)anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

322.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16014 175.6
[M+Na]+ 345.14208 182.7
[M+NH4]+ 340.18668 179.6
[M+K]+ 361.11602 179.5
[M-H]- 321.14558 175.5
[M+Na-2H]- 343.12753 178.2
[M]+ 322.15231 175.9
[M]- 322.15341 175.9
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