CID 37131

Brn 2766088

Structural Information

Molecular Formula
C19H21NO4
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H21NO4/c1-19(2,3)14-9-10-16(24-12-17(21)22)15(11-14)20-18(23)13-7-5-4-6-8-13/h4-11H,12H2,1-3H3,(H,20,23)(H,21,22)
InChIKey
NKNAJSPJSPHWIZ-UHFFFAOYSA-N
Compound name
2-(2-benzamido-4-tert-butylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14706 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.154336 177.2
[M+Na]+ 350.136278 182.3
[M-H]- 326.139784 182.5
[M+NH4]+ 345.180883 190.0
[M+K]+ 366.110218 179.4
[M+H-H2O]+ 310.144320 169.4
[M+HCOO]- 372.145261 197.0
[M+CH3COO]- 386.160911 209.3
[M+Na-2H]- 348.121726 179.8
[M]+ 327.14651142 178.7
[M]- 327.14760858 178.7
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.