CID 64146925

1404638-84-1

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1=CC(=C(C(=C1)C)C(C(=O)O)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C16H23NO4/c1-9-7-10(2)12(11(3)8-9)13(14(18)19)17-15(20)21-16(4,5)6/h7-8,13H,1-6H3,(H,17,20)(H,18,19)
InChIKey
IGJRSXKWHUKWOW-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2,4,6-trimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 168.4
[M+Na]+ 316.151938 174.4
[M-H]- 292.155444 171.0
[M+NH4]+ 311.196543 183.5
[M+K]+ 332.125878 173.3
[M+H-H2O]+ 276.159980 162.6
[M+HCOO]- 338.160921 186.9
[M+CH3COO]- 352.176571 206.0
[M+Na-2H]- 314.137386 168.1
[M]+ 293.16217142 171.2
[M]- 293.16326858 171.2
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.