CID 88970

2,2'-((3-methylphenyl)imino)bisethyl diacetate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=CC(=CC=C1)N(CCOC(=O)C)CCOC(=O)C
InChI
InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3
InChIKey
AHLUBQCOAONRMZ-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-methylanilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

279.14706 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.9
[M+Na]+ 302.13628 170.9
[M-H]- 278.13978 170.3
[M+NH4]+ 297.18088 182.1
[M+K]+ 318.11022 170.9
[M+H-H2O]+ 262.14432 158.3
[M+HCOO]- 324.14526 189.3
[M+CH3COO]- 338.16091 205.7
[M+Na-2H]- 300.12173 167.3
[M]+ 279.14651 171.8
[M]- 279.14761 171.8
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