CID 146677540

Dtxsid101022939

Structural Information

Molecular Formula
C15H21NO4
SMILES
CCC1=CC=CC(=C1N(COC(C)C)C(=O)C(=O)O)C
InChI
InChI=1S/C15H21NO4/c1-5-12-8-6-7-11(4)13(12)16(9-20-10(2)3)14(17)15(18)19/h6-8,10H,5,9H2,1-4H3,(H,18,19)
InChIKey
FOUCQDUBSRSTBK-UHFFFAOYSA-N
Compound name
2-[2-ethyl-6-methyl-N-(propan-2-yloxymethyl)anilino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.15434 165.3
[M+Na]+ 302.13628 170.6
[M-H]- 278.13978 168.8
[M+NH4]+ 297.18088 181.1
[M+K]+ 318.11022 170.4
[M+H-H2O]+ 262.14432 158.5
[M+HCOO]- 324.14526 186.2
[M+CH3COO]- 338.16091 205.4
[M+Na-2H]- 300.12173 164.4
[M]+ 279.14651 169.1
[M]- 279.14761 169.1
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

No patent data available for this compound.