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]+ 328.15434 177.2
[M+Na]+ 350.13628 182.3
[M-H]- 326.13978 182.5
[M+NH4]+ 345.18088 190.0
[M+K]+ 366.11022 179.4
[M+H-H2O]+ 310.14432 169.4
[M+HCOO]- 372.14526 197.0
[M+CH3COO]- 386.16091 209.3
[M+Na-2H]- 348.12173 179.8
[M]+ 327.14651 178.7
[M]- 327.14761 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.