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]+ 294.17000 168.4
[M+Na]+ 316.15194 174.4
[M-H]- 292.15544 171.0
[M+NH4]+ 311.19654 183.5
[M+K]+ 332.12588 173.3
[M+H-H2O]+ 276.15998 162.6
[M+HCOO]- 338.16092 186.9
[M+CH3COO]- 352.17657 206.0
[M+Na-2H]- 314.13739 168.1
[M]+ 293.16217 171.2
[M]- 293.16327 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.