CID 505545

Tert-butyl 2,4-dioxo-4-[n-(2-phenoxyethyl)anilino]butanoate

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)(C)OC(=O)C(=O)CC(=O)N(CCOC1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H25NO5/c1-22(2,3)28-21(26)19(24)16-20(25)23(17-10-6-4-7-11-17)14-15-27-18-12-8-5-9-13-18/h4-13H,14-16H2,1-3H3
InChIKey
LAZHHEJEAFXIIW-UHFFFAOYSA-N
Compound name
tert-butyl 2,4-dioxo-4-[N-(2-phenoxyethyl)anilino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 192.3
[M+Na]+ 406.16250 194.7
[M-H]- 382.16600 199.1
[M+NH4]+ 401.20710 203.2
[M+K]+ 422.13644 193.9
[M+H-H2O]+ 366.17054 183.1
[M+HCOO]- 428.17148 212.5
[M+CH3COO]- 442.18713 222.8
[M+Na-2H]- 404.14795 193.5
[M]+ 383.17273 197.1
[M]- 383.17383 197.1
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.