CID 117913

Einecs 248-196-9

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 176.1
[M+Na]+ 345.14208 179.7
[M-H]- 321.14558 180.3
[M+NH4]+ 340.18668 190.0
[M+K]+ 361.11602 180.2
[M+H-H2O]+ 305.15012 167.8
[M+HCOO]- 367.15106 199.6
[M+CH3COO]- 381.16671 215.3
[M+Na-2H]- 343.12753 176.3
[M]+ 322.15231 181.6
[M]- 322.15341 181.6
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