CID 987718

301307-52-8

Structural Information

Molecular Formula
C22H27NO4
SMILES
CCOC(=O)C1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C)C(C)(C)C
InChI
InChI=1S/C22H27NO4/c1-6-26-21(25)16-9-7-8-10-18(16)23-20(24)14-27-19-12-11-15(2)13-17(19)22(3,4)5/h7-13H,6,14H2,1-5H3,(H,23,24)
InChIKey
BMWPZQNKFRLVEK-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.194 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.20128 190.5
[M+Na]+ 392.18322 195.7
[M-H]- 368.18672 197.0
[M+NH4]+ 387.22782 202.7
[M+K]+ 408.15716 193.1
[M+H-H2O]+ 352.19126 182.1
[M+HCOO]- 414.19220 210.8
[M+CH3COO]- 428.20785 221.2
[M+Na-2H]- 390.16867 191.3
[M]+ 369.19345 195.3
[M]- 369.19455 195.3
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.